Exact Mass: 259.1572206

Exact Mass Matches: 259.1572206

Found 500 metabolites which its exact mass value is equals to given mass value 259.1572206, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Primaquine

8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline

C15H21N3O (259.1684536)


An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404) P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1600 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3009

   

Propranolol

[2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine

C16H21NO2 (259.1572206)


Propranolol is a widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. A widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. [HMDB] C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 171 KEIO_ID P192; [MS2] KO009171 KEIO_ID P192 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

HQNO

2-Heptyl-4-hydroxyquinoline N-oxide

C16H21NO2 (259.1572206)


HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].

   

Linatine

1-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]pyrrolidine-2-carboxylate

C10H17N3O5 (259.1168152)


Linatine is found in fats and oils. Linatine is isolated from Linum usitatissimum (flax). Isolated from Linum usitatissimum (flax). Linatine is found in tea and fats and oils.

   

2-Heptyl-3-hydroxy-quinolone

2-Heptyl-3-hydroxy-4(1H)-quinolone

C16H21NO2 (259.1572206)


   
   

Norbelladine

Norbelladine

C15H17NO3 (259.1208372)


A phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group.

   

Platydesmine

(.+/-.)-Platydesmine

C15H17NO3 (259.1208372)


   
   

Norbutorphanol

(1S,9R,10S)-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-triene-4,10-diol

C16H21NO2 (259.1572206)


Norbutorphanol belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.

   

Hexanoylcarnitine

Hexanoylcarnitine

C13H25NO4 (259.178349)


   

Isoleucyl-Glutamine

2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoate

C11H21N3O4 (259.1531986)


Isoleucyl-Glutamine is a dipeptide composed of isoleucine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Norchalciporyl propionate

(5Z)-6-(2-Methyl-2H-azepin-7-yl)hexa-3,5-dien-1-yl propanoic acid

C16H21NO2 (259.1572206)


Norchalciporyl propionate is found in mushrooms. Norchalciporyl propionate is a pungent principle from fruit-bodies of the edible mushroom (Chalciporus piperatus

   

Isoleucyl-Lysine

6-Amino-2-[(2-amino-1-hydroxy-3-methylpentylidene)amino]hexanoate

C12H25N3O3 (259.189582)


Isoleucyl-Lysine is a dipeptide composed of isoleucine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Lysylisoleucine

(2S,3S)-2-[(2S)-2,6-diaminohexanamido]-3-methylpentanoic acid

C12H25N3O3 (259.189582)


Lysylisoleucine is a dipeptide composed of lysine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Glutaminylisoleucine

(2S,3S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-methylpentanoate

C11H21N3O4 (259.1531986)


Glutaminylisoleucine is a dipeptide composed of glutamine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Hexanoylcarnitine

L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt

C13H25NO4 (259.1783582)


Hexanoylcarnitine (CAS: 6418-78-6), also known as caproylcarnitine, is an acylcarnitine. Acylcarnitines are the product of the conjugation of carnitine with acyl-coenzyme A, that allows the transport of fatty acids across mitochondrial membranes. Long or medium chain fatty acids are then oxidized in the mitochondria for energy production. The ionic nature of L-carnitine causes high water solubility which decreases with increasing chain lengths of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined not only by their function but also by their physicochemical properties. Hexanoylcarnitine is a medium-chain acylcarnitine present in the urine of patients with medium-chain acyl-CoA dehydrogenase deficiency (PMID: 1635814). Hexanoylcarnitine is also found to be associated with celiac disease and glutaric aciduria II which are both inborn errors of metabolism. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism, which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. High-performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.). L-Hexanoylcarnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, in increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physico-chemical properties as well. High performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile. (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.) L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   

Ramelteon

(S)-N-(2-(1,6,7,8-Tetrahydro-2H-indeno-(5,4)furan-8-yl)ethyl)propionamide

C16H21NO2 (259.1572206)


Ramelteon is the first in a new class of sleep agents that selectively binds to the melatonin receptors in the suprachiasmatic nucleus (SCN). It is used for insomnia, particularly delayed sleep onset. Ramelteon has not been shown to produce dependence and has shown no potential for abuse. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Glutaminylhydroxyproline

(2S,4R)-1-[(2S)-2-Amino-4-(C-hydroxycarbonimidoyl)butanoyl]-4-hydroxypyrrolidine-2-carboxylate

C10H17N3O5 (259.1168152)


Glutaminylhydroxyproline is a dipeptide composed of glutamine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Glutaminylleucine

(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-4-methylpentanoate

C11H21N3O4 (259.1531986)


Glutaminylleucine is a dipeptide composed of glutamine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Hydroxyprolyl-Glutamine

2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate

C10H17N3O5 (259.1168152)


Hydroxyprolyl-Glutamine is a dipeptide composed of hydroxyproline and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Hydroxyprolyl-Lysine

6-Amino-2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}hexanoate

C11H21N3O4 (259.1531986)


Hydroxyprolyl-Lysine is a dipeptide composed of hydroxyproline and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Hydroxyprolyl-Gamma-glutamate

2-Amino-4-[(4-hydroxypyrrolidine-2-carbonyl)-C-hydroxycarbonimidoyl]butanoate

C10H17N3O5 (259.1168152)


Hydroxyprolyl-Gamma-glutamate is a dipeptide composed of hydroxyproline and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Isoleucyl-Gamma-glutamate

2-Amino-4-[(2-amino-3-methylpentanoyl)-C-hydroxycarbonimidoyl]butanoate

C11H21N3O4 (259.1531986)


Isoleucyl-Gamma-glutamate is a dipeptide composed of isoleucine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Leucyl-Glutamine

2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]-4-(C-hydroxycarbonimidoyl)butanoate

C11H21N3O4 (259.1531986)


Leucyl-Glutamine is a dipeptide composed of leucine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Leucyl-Lysine

6-Amino-2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]hexanoate

C12H25N3O3 (259.189582)


Leucyl-Lysine is a dipeptide composed of leucine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Leucyl-Gamma-glutamate

2-Amino-4-[(2-amino-4-methylpentanoyl)-C-hydroxycarbonimidoyl]butanoate

C11H21N3O4 (259.1531986)


Leucyl-Gamma-glutamate is a dipeptide composed of leucine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Lysylhydroxyproline

(2S,4R)-1-[(2S)-2,6-diaminohexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H21N3O4 (259.1531986)


Lysylhydroxyproline is a dipeptide composed of lysine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Lysylleucine

(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanoic acid

C12H25N3O3 (259.189582)


Lysylleucine is a dipeptide composed of lysine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Clobenzorex

Benzenemethanamine, 2-chloro, N-(1-methyl-2-phenylethyl)

C16H18ClN (259.1127698)


Chemically, clobenzorex is an N-substituted amphetamine analog that is converted to d-amphetamine soon after ingestion. In commercial production, clobenzorex is supplied in 30 mg doses as the hydrochloride salt in green-tinted capsules. The drug gained use as a prescription anorectic in the 1970s; however, adverse reactions were eventually observed, which led to the prohibition of clobenzorex in the United States and certain other countries. Clobenzorex (Asenlix, Dinintel, Finedal, Rexigen) is a stimulant drug of the phenethylamine and amphetamine chemical classes used as an appetite suppressant. The drug is legally distributed in Mexico under the trade name Asenlix by Aventis. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products

   

norzolmitripan

(4R)-4-{[3-(2-aminoethyl)-1H-indol-5-yl]methyl}-4,5-dihydro-1,3-oxazol-2-ol

C14H17N3O2 (259.1320702)


norzolmitripan is a metabolite of zolmitriptan. Zolmitriptan is a selective serotonin receptor agonist of the 1B and 1D subtypes. It is a triptan, used in the acute treatment of migraine attacks with or without aura and cluster headaches. Zolmitriptan is marketed by AstraZeneca with the brand names Zomig, Zomigon (Argentina, Canada & Greece), AscoTop (Germany) and Zomigoro (France). In 2008, Zomig generated nearly $154 million in sales. (Wikipedia)

   

4-Methylpentanoylcarnitine

3-[(4-methylpentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


4-Methylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-methylpentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Methylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Methylpentanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

3-Methylpentanoylcarnitine

3-[(3-methylpentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


3-Methylpentanoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylpentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Methylpentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-Methylpentanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

3-Oxopentanoylcarnitine

3-[(3-oxopentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H21NO5 (259.1419656)


3-oxopentanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxopentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-oxopentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-oxopentanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

4-Oxopentanoylcarnitine

3-[(4-oxopentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H21NO5 (259.1419656)


4-oxopentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-oxopentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-oxopentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-oxopentanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

   

(-)-Vesamicol

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C17H25NO (259.193604)


   

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

C17H25NO (259.193604)


   

4-Phenyl-4-piperidinocyclohexanol

4-Phenyl-4-piperidinocyclohexanol, (trans)-isomer

C17H25NO (259.193604)


   

Ala-Hyp-Gly

2-[[1-(2-Aminopropanoyl)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid

C10H17N3O5 (259.1168152)


   

Ilepcimide

3-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C15H17NO3 (259.1208372)


   

Celgosivir

(1,7,8-Trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl) butanoate

C12H21NO5 (259.1419656)


   

Dibenamine

dibenzyl(2-chloroethyl)amine

C16H18ClN (259.1127698)


   

Eperisone

1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one

C17H25NO (259.193604)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Nortilidine

Ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylic acid

C16H21NO2 (259.1572206)


   
   

3alpha-Phenylacetoxytropane

3alpha-Phenylacetoxytropane

C16H21NO2 (259.1572206)


   
   
   
   
   
   
   

12-pyridin-2-yldodeca-6,8-dien-2-ol

12-pyridin-2-yldodeca-6,8-dien-2-ol

C17H25NO (259.193604)


   

Pyo II

2-n-Heptyl-4-hydroxyquinoline N-oxide

C16H21NO2 (259.1572206)


HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].

   
   
   

Pyrrolezanthine 6-methyl ether

Pyrrolezanthine 6-methyl ether

C15H17NO3 (259.1208372)


   

PQS

2-Heptyl-3-hydroxyl-4(1H)-quinolone

C16H21NO2 (259.1572206)


   

3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate

3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate

C12H21NO5 (259.1419656)


   

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

1-(1-Phenylcyclohexyl)-4-hydroxypiperidine

C17H25NO (259.193604)


   

4-Phenyl-4-piperidinocyclohexanol

4-Phenyl-4-piperidinocyclohexanol

C17H25NO (259.193604)


   
   
   

alpha-pyrrolidinoheptaphenone

alpha-pyrrolidinoheptaphenone

C17H25NO (259.193604)


   

vesamicol

vesamicol

C17H25NO (259.193604)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents (-)-Vesamicol (AH5183) is an inhibitor of acetylcholine transport into synaptic vesicles, with the IC50 of 75 nM[1]. (-)-Vesamicol can be used for release and recycling of synaptic vesicles study[1]. (-)-Vesamicol (AH5183) is an inhibitor of acetylcholine transport into synaptic vesicles, with the IC50 of 75 nM[1]. (-)-Vesamicol can be used for release and recycling of synaptic vesicles study[1].

   

Oxypyrithiamine; 1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

Oxypyrithiamine; 1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

C14H17N3O2 (259.1320702)


   
   

phenylacetoxytropane

phenylacetoxytropane

C16H21NO2 (259.1572206)


   
   

Val Ala Ala|Val-Ala-Ala

Val Ala Ala|Val-Ala-Ala

C11H21N3O4 (259.1531986)


   

3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one

3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one

C15H17NO3 (259.1208372)


   
   

1,4-Di-Ac-D-3-(Dimethylamino)-2,3,6-trideoxy-arabino-hexose

1,4-Di-Ac-D-3-(Dimethylamino)-2,3,6-trideoxy-arabino-hexose

C12H21NO5 (259.1419656)


   

methyl 3-acetamido-4-O-acetyl-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranoside|Methyl N,O-diacetyl-alpha-L-vancosaminide

methyl 3-acetamido-4-O-acetyl-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranoside|Methyl N,O-diacetyl-alpha-L-vancosaminide

C12H21NO5 (259.1419656)


   

Ribalinine

(+)-(R)-Ribalinine

C15H17NO3 (259.1208372)


Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

   

undeca-2Z-en-8,10-diynoic acid 2-methylbutylamide

undeca-2Z-en-8,10-diynoic acid 2-methylbutylamide

C17H25NO (259.193604)


   
   

1-Methyl-8-methoxy-2-pentylquinolin-4(1H)-one

1-Methyl-8-methoxy-2-pentylquinolin-4(1H)-one

C16H21NO2 (259.1572206)


   

3alpha-p-Hydroxybenzoyloxytrop-6-en|4-hydroxy-benzoic acid trop-6-en-3-yl ester

3alpha-p-Hydroxybenzoyloxytrop-6-en|4-hydroxy-benzoic acid trop-6-en-3-yl ester

C15H17NO3 (259.1208372)


   

Milbemycin alpha15|millaurine

Milbemycin alpha15|millaurine

C14H17N3O2 (259.1320702)


   

(2S,4R)-1-((S)-2-(2-Aminoacetamido)Propanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-((S)-2-(2-Aminoacetamido)Propanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H17N3O5 (259.1168152)


   

(+)-lycopladine A|lycopladine A

(+)-lycopladine A|lycopladine A

C16H21NO2 (259.1572206)


   

(-)-(3R)-geibalansine|(-)-(R)-geibalansine|(-)-R-geibalansine

(-)-(3R)-geibalansine|(-)-(R)-geibalansine|(-)-R-geibalansine

C15H17NO3 (259.1208372)


   
   

(+)-grandisine D|(5S)-6-((S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-enone|grandisine D

(+)-grandisine D|(5S)-6-((S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-enone|grandisine D

C16H21NO2 (259.1572206)


   
   

3-(5-Hydroxy-[2]piperidylmethyl)-3H-chinazolin-4-on|3-(5-hydroxy-[2]piperidylmethyl)-3H-quinazolin-4-one

3-(5-Hydroxy-[2]piperidylmethyl)-3H-chinazolin-4-on|3-(5-hydroxy-[2]piperidylmethyl)-3H-quinazolin-4-one

C14H17N3O2 (259.1320702)


   

Haminol 3|Haminol-3

Haminol 3|Haminol-3

C17H25NO (259.193604)


   

(+/-)-4-Hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one|2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one,|4-hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one

(+/-)-4-Hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one|2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one,|4-hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one

C15H17NO3 (259.1208372)


   
   
   

N-demethyl-8-methoxyifflaiamine

N-demethyl-8-methoxyifflaiamine

C15H17NO3 (259.1208372)


   

(2R)-2-[ (1E,3E)-hexa-1,3-dien-1-yl]-2,6-dimethylfuro[3,2-c]pyridine-3,4(2H,5H)-dione|huaspenone D

(2R)-2-[ (1E,3E)-hexa-1,3-dien-1-yl]-2,6-dimethylfuro[3,2-c]pyridine-3,4(2H,5H)-dione|huaspenone D

C15H17NO3 (259.1208372)


   

5-methoxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1h-pyrrole-2-carbaldehyde

5-methoxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1h-pyrrole-2-carbaldehyde

C15H17NO3 (259.1208372)


   
   
   

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylacetamide

N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylacetamide

C16H21NO2 (259.1572206)


   
   

(-)-histrionicotoxin 259A|(?)-histrionicotoxin 259A|histrionicotoxin 259

(-)-histrionicotoxin 259A|(?)-histrionicotoxin 259A|histrionicotoxin 259

C17H25NO (259.193604)


   

dodeca-4-keto-2E-ene-8,10-diynoic acid isobutylamide

dodeca-4-keto-2E-ene-8,10-diynoic acid isobutylamide

C16H21NO2 (259.1572206)


   
   

Pseudoepiisoelaeocarpiline

Pseudoepiisoelaeocarpiline

C16H21NO2 (259.1572206)


   

(4-oxo-2-propylquinolin-1(4h)-yl)methyl acetate

(4-oxo-2-propylquinolin-1(4h)-yl)methyl acetate

C15H17NO3 (259.1208372)


   

Dhydrodarlingianine|Dihydrodarlingianin

Dhydrodarlingianine|Dihydrodarlingianin

C17H25NO (259.193604)


   

(7Z)-N-(isobutyl)-7-tridecene-10,12-diynamide

(7Z)-N-(isobutyl)-7-tridecene-10,12-diynamide

C17H25NO (259.193604)


   

3,4-Dimethoxydihydrocinnamoylpyrrole

3,4-Dimethoxydihydrocinnamoylpyrrole

C15H17NO3 (259.1208372)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

Z-Antiepilepsirine

(2Z)-3-(1,3-dioxaindan-5-yl)-1-(piperidin-1-yl)prop-2-en-1-one

C15H17NO3 (259.1208372)


(Z)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one is a natural product found in Macropiper, Piper nigrum, and Piper capense with data available.

   

propranolol

propranolol

C16H21NO2 (259.1572206)


A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7445; ORIGINAL_PRECURSOR_SCAN_NO 7444 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7453; ORIGINAL_PRECURSOR_SCAN_NO 7452 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7469 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7478; ORIGINAL_PRECURSOR_SCAN_NO 7476 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7485; ORIGINAL_PRECURSOR_SCAN_NO 7484 CONFIDENCE standard compound; INTERNAL_ID 1108 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 61 CONFIDENCE standard compound; INTERNAL_ID 8556 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].

   

PRIMAQUINE

PRIMAQUINE

C15H21N3O (259.1684536)


P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent [Raw Data] CB203_Primaquine_pos_50eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_40eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_30eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_20eV_CB000073.txt [Raw Data] CB203_Primaquine_pos_10eV_CB000073.txt

   

Ramelteon

N-{2-[(8S)-1H,2H,6H,7H,8H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

C16H21NO2 (259.1572206)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

RIBALININE

NCGC00160238-01!RIBALININE

C15H17NO3 (259.1208372)


   

C15H17NO3_4,6-Octadienoic acid, 3-[(4-formylphenyl)amino]-, (4E,6E)

NCGC00381082-01_C15H17NO3_4,6-Octadienoic acid, 3-[(4-formylphenyl)amino]-, (4E,6E)-

C15H17NO3 (259.1208372)


   

Hexanoylcarnitine

Hexanoylcarnitine

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   
   

2-nonylquinoline-3,4-diol:Series 3 HAQ C9

2-nonylquinoline-3,4-diol:Series 3 HAQ C9

C16H21NO2 (259.1572206)


   

Hexanoyl-L-carnitine

Hexanoyl-L-carnitine

C13H25NO4 (259.178349)


CONFIDENCE standard compound; INTERNAL_ID 255

   

isoleucylglutamine

isoleucylglutamine

C11H21N3O4 (259.1531986)


Annotation level-2

   

Pseudomonas quinolone signal

Pseudomonas quinolone signal

C16H21NO2 (259.1572206)


   

Hexanoyl-carnitine; AIF; CE0; CorrDec

Hexanoyl-carnitine; AIF; CE0; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE10; CorrDec

Hexanoyl-carnitine; AIF; CE10; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE30; CorrDec

Hexanoyl-carnitine; AIF; CE30; CorrDec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE0; MS2Dec

Hexanoyl-carnitine; AIF; CE0; MS2Dec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE10; MS2Dec

Hexanoyl-carnitine; AIF; CE10; MS2Dec

C13H25NO4 (259.178349)


   

Hexanoyl-carnitine; AIF; CE30; MS2Dec

Hexanoyl-carnitine; AIF; CE30; MS2Dec

C13H25NO4 (259.178349)


   

1,N6-Hydroxy-epoxyoctenal-adenine

1,N6-Hydroxy-epoxyoctenal-adenine

C13H17N5O1 (259.1433032)


   

2-heptyl-3-hydroxy 4-quinolone

2-Heptyl-3-hydroxy-4(1H)-quinolinone

C16H21NO2 (259.1572206)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

(2S,6R,7S,8S)-2-allyl-7-((E)-but-1-en-3-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-2-allyl-7-((E)-but-1-en-3-yn-1-yl)-1-azaspiro[5.5]undecan-8-ol

C17H25NO (259.193604)


   

L-Glutamic acid dibutyl ester

L-Glutamic acid dibutyl ester

C13H25NO4 (259.178349)


   

Hexanoate

L-Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   

O-hexanoyl-R-carnitine

O-hexanoyl-R-carnitine

C13H25NO4 (259.178349)


   

(±)-Hexanoylcarnitine

(±)-Hexanoylcarnitine

C13H25NO4 (259.178349)


   

GLN-HPro

4-carbamoyl-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid

C10H17N3O5 (259.1168152)


   

GLN-Ile

2-(2-amino-3-methylpentanamido)-4-carbamoylbutanoic acid

C11H21N3O4 (259.1531986)


   

GLN-Leu

2-(2-amino-4-methylpentanamido)-4-carbamoylbutanoic acid

C11H21N3O4 (259.1531986)


   

Hpro-GLN

1-(2-amino-4-carbamoylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H17N3O5 (259.1168152)


   

Hpro-lys

1-(2,6-diaminohexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H21N3O4 (259.1531986)


   

Hpro-gglu

1-[2-amino-4-(C-hydroxycarbonimidoyl)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C10H17N3O5 (259.1168152)


   

Ile-GLN

2-(2-amino-4-carbamoylbutanamido)-3-methylpentanoic acid

C11H21N3O4 (259.1531986)


A dipeptide formed from L-isoleucine and L-glutamine residues.

   

Ile-lys

2-(2,6-diaminohexanamido)-3-methylpentanoic acid

C12H25N3O3 (259.189582)


   

Ile-gglu

2-[2-amino-4-(C-hydroxycarbonimidoyl)butanamido]-3-methylpentanoic acid

C11H21N3O4 (259.1531986)


   

Leu-GLN

2-(2-amino-4-carbamoylbutanamido)-4-methylpentanoic acid

C11H21N3O4 (259.1531986)


   

Leu-lys

2-(2,6-diaminohexanamido)-4-methylpentanoic acid

C12H25N3O3 (259.189582)


A dipeptide composed of L-leucine and L-lysine joined by a peptide linkage.

   

Leu-gglu

2-[2-amino-4-(C-hydroxycarbonimidoyl)butanamido]-4-methylpentanoic acid

C11H21N3O4 (259.1531986)


   

Lys-hpro

6-amino-2-[(4-hydroxypyrrolidin-2-yl)formamido]hexanoic acid

C11H21N3O4 (259.1531986)


   

Lys-ile

6-amino-2-(2-amino-3-methylpentanamido)hexanoic acid

C12H25N3O3 (259.189582)


A dipeptide formed from L-lysine and L-isoleucine residues.

   

Lys-leu

6-amino-2-(2-amino-4-methylpentanamido)hexanoic acid

C12H25N3O3 (259.189582)


A dipeptide formed from L-lysine and L-leucine residues.

   

GGlu-HPro

4-(C-hydroxycarbonimidoyl)-2-[(4-hydroxypyrrolidin-2-yl)formamido]butanoic acid

C10H17N3O5 (259.1168152)


   

GGlu-Ile

2-(2-amino-3-methylpentanamido)-4-(C-hydroxycarbonimidoyl)butanoic acid

C11H21N3O4 (259.1531986)


   

GGlu-Leu

2-(2-amino-4-methylpentanamido)-4-(C-hydroxycarbonimidoyl)butanoic acid

C11H21N3O4 (259.1531986)


   

Norchalciporyl propionate

(3E,5Z)-6-(2-methyl-2H-azepin-7-yl)hexa-3,5-dien-1-yl propanoate

C16H21NO2 (259.1572206)


   

Asenlix

Benzenemethanamine, 2'-chloro, N-(1-methyl-2-phenylethyl)

C16H18ClN (259.1127698)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products

   

Norbutorphanol

(1S,9R,10S)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-4,10-diol

C16H21NO2 (259.1572206)


D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

4-Methyl-α-pyrrolidinohexanophenone

4-Methyl-α-pyrrolidinohexanophenone

C17H25NO (259.193604)


   

CAR 6:0

3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate

C13H25NO4 (259.178349)


   

NA 17:5

N-isobutyl-7Z-tridecene-10,12-diynamide

C17H25NO (259.193604)


   
   

1-(1-benzylpiperidin-4-yl)piperazine

1-(1-benzylpiperidin-4-yl)piperazine

C16H25N3 (259.204837)


   

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

C13H18BN3O2 (259.1491998)


   

Methyl N-Boc-4-hydroxypiperidine-3-carboxylate

Methyl N-Boc-4-hydroxypiperidine-3-carboxylate

C12H21NO5 (259.1419656)


   

H-GLY-DL-LEU-DL-ALA-OH

H-GLY-DL-LEU-DL-ALA-OH

C11H21N3O4 (259.1531986)


   

2-(2-BENZOFURANYL)-4-TERT-BUTYL-MORPHOLINE

2-(2-BENZOFURANYL)-4-TERT-BUTYL-MORPHOLINE

C16H21NO2 (259.1572206)


   

(S)-4-(tert-Butoxycarbonyl)-6,6-dimethylmorpholine-3-carboxylic acid

(S)-4-(tert-Butoxycarbonyl)-6,6-dimethylmorpholine-3-carboxylic acid

C12H21NO5 (259.1419656)


   

Triphenylmethanamine

Triphenylmethanamine

C19H17N (259.1360922)


   

4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE

4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE

C15H17NO3 (259.1208372)


   

ethyl 6-ethoxy-2-methylquinoline-3-carboxylate

ethyl 6-ethoxy-2-methylquinoline-3-carboxylate

C15H17NO3 (259.1208372)


   

5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE

5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE

C14H18BNO3 (259.1379668)


   

(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoic acid

(R)-4-((tert-Butoxycarbonyl)amino)-6-methylheptanoic acid

C13H25NO4 (259.178349)


   

Nortilidine

3-Cyclohexene-1-carboxylic acid, 2-(methylamino)-1-phenyl-, ethyl ester, (1R,2S)-rel-

C16H21NO2 (259.1572206)


   

tert-butyl 3-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 3-(2-hydroxyethyl)-3-(hydroxymethyl)piperidine-1-carboxylate

C13H25NO4 (259.178349)


   

Methyl 6-(dimethylamino)-4-methoxy-2-naphthoate

Methyl 6-(dimethylamino)-4-methoxy-2-naphthoate

C15H17NO3 (259.1208372)


   

3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

C14H17N3O2 (259.1320702)


   

4-DECYLOXY-BENZONITRILE

4-DECYLOXY-BENZONITRILE

C17H25NO (259.193604)


   

1H-Pyrrolizine-7a(5H)-carboxylic acid, tetrahydro-3-oxo-, phenylmethyl ester

1H-Pyrrolizine-7a(5H)-carboxylic acid, tetrahydro-3-oxo-, phenylmethyl ester

C15H17NO3 (259.1208372)


   

methyl (1S,3R,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

methyl (1S,3R,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

C12H21NO5 (259.1419656)


   

(1R,2S,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER

(1R,2S,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER

C12H21NO5 (259.1419656)


   

(1R,2R,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER

(1R,2R,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER

C12H21NO5 (259.1419656)


   

(1S,2S,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER

(1S,2S,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER

C12H21NO5 (259.1419656)


   

methyl (1S,3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

methyl (1S,3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

C12H21NO5 (259.1419656)


   

methyl (1R,3S,4R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

methyl (1R,3S,4R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

C12H21NO5 (259.1419656)


   

(2R,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid methyl ester

(2R,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid methyl ester

C12H21NO5 (259.1419656)


   

1-(2-METHYL-1,3-THIAZOL-4-YL)ETHANONE

1-(2-METHYL-1,3-THIAZOL-4-YL)ETHANONE

C14H26ClNO (259.1702816)


   

2-(4-STYRYL-PHENYL)-ETHYLAMINE HYDROCHLORIDE

2-(4-STYRYL-PHENYL)-ETHYLAMINE HYDROCHLORIDE

C16H18ClN (259.1127698)


   

Boc-Dipropylglycine

Boc-Dipropylglycine

C13H25NO4 (259.178349)


   

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

C14H18BNO3 (259.1379668)


   

4-Methyl-N,N-diphenylaniline

4-Methyl-N,N-diphenylaniline

C19H17N (259.1360922)


   

(2S,4R)-1-Tert-butyl2-methyl4-hydroxypiperidine-1,2-dicarboxylate

(2S,4R)-1-Tert-butyl2-methyl4-hydroxypiperidine-1,2-dicarboxylate

C12H21NO5 (259.1419656)


   

tert-butyl 4-(2-hydroxyethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxyethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

C13H25NO4 (259.178349)


   

1-Piperidinecarboxylic acid, 4-hydroxy-4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 4-hydroxy-4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester

C13H25NO4 (259.178349)


   

Ethyl 3-benzyl-2-cyano-3-methylpentanoate

Ethyl 3-benzyl-2-cyano-3-methylpentanoate

C16H21NO2 (259.1572206)


   

Ilepcimide

Ilepcimide

C15H17NO3 (259.1208372)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent

   

4-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile

4-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile

C14H17N3O2 (259.1320702)


   

5-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile

5-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile

C14H17N3O2 (259.1320702)


   

N-Boc-4-Carboxymethoxypiperidine

N-Boc-4-Carboxymethoxypiperidine

C12H21NO5 (259.1419656)


   

4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C14H18BNO3 (259.1379668)


   

2,6-di(4-methylphenyl)pyridine

2,6-di(4-methylphenyl)pyridine

C19H17N (259.1360922)


   

4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxane-4-carboxylic acid

4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxane-4-carboxylic acid

C12H21NO5 (259.1419656)


   

(1-BENZYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETICACID

(1-BENZYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETICACID

C13H16F3NO (259.1183922)


   

(1-BENZYL-1H-IMIDAZOL-2-YL)ACETONITRILE

(1-BENZYL-1H-IMIDAZOL-2-YL)ACETONITRILE

C13H16F3NO (259.1183922)


   

4-(PENTAMETHYLBENZOYL)PIPERIDINE

4-(PENTAMETHYLBENZOYL)PIPERIDINE

C17H25NO (259.193604)


   

(2S,4S)-1-tert-Butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate

(2S,4S)-1-tert-Butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate

C12H21NO5 (259.1419656)


   

(R)-1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-1,3-AZASILOLIDINE-5-CARBOXYLIC ACID

(R)-1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-1,3-AZASILOLIDINE-5-CARBOXYLIC ACID

C11H21NO4Si (259.1239786)


   

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinoline

C15H22BNO2 (259.1743502)


   

3-Cyano-5-methoxyphenylboronic acid, pinacol ester

3-Cyano-5-methoxyphenylboronic acid, pinacol ester

C14H18BNO3 (259.1379668)


   

1-O-tert-butyl 4-O-methyl 4-hydroxypiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 4-hydroxypiperidine-1,4-dicarboxylate

C12H21NO5 (259.1419656)


   

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

C15H22BNO2 (259.1743502)


   

2-[(5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO]BENZOICACID

2-[(5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO]BENZOICACID

C15H17NO3 (259.1208372)


   

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydroquinoline

C15H22BNO2 (259.1743502)


   

3-CARBOXYMETHOXY-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-CARBOXYMETHOXY-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C12H21NO5 (259.1419656)


   
   

(4-HYDROXY-NAPHTHALEN-1-YL)-CARBAMIC ACID TERT-BUTYL ESTER

(4-HYDROXY-NAPHTHALEN-1-YL)-CARBAMIC ACID TERT-BUTYL ESTER

C15H17NO3 (259.1208372)


   

ETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE

ETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE

C14H17N3O2 (259.1320702)


   

3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine

3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine

C13H18BN3O2 (259.1491998)


   

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

C14H18BNO3 (259.1379668)


   

Methyl (R)-(+)-3-BOC-2,2-dimethyl-4-oxazolidinecarboxylate

Methyl (R)-(+)-3-BOC-2,2-dimethyl-4-oxazolidinecarboxylate

C12H21NO5 (259.1419656)


   

2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETONITRILE

2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETONITRILE

C14H18BNO3 (259.1379668)


   

2-methyloxirane,oxirane,prop-2-enenitrile,styrene

2-methyloxirane,oxirane,prop-2-enenitrile,styrene

C16H21NO2 (259.1572206)


   

(S)-2-(6-METHOXYNAPHTHALEN-2-YL)PROPYL CARBAMATE

(S)-2-(6-METHOXYNAPHTHALEN-2-YL)PROPYL CARBAMATE

C15H17NO3 (259.1208372)


   

TERT-BUTYL 2-CYANO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE

TERT-BUTYL 2-CYANO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE

C14H17N3O2 (259.1320702)


   

ALPHA-(4-BIPHENYLYL)BENZYLAMINE

ALPHA-(4-BIPHENYLYL)BENZYLAMINE

C19H17N (259.1360922)


   
   

1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-3-carboxylic acid

1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-3-carboxylic acid

C14H17N3O2 (259.1320702)


   

2,2,5,5-tetramethyl-4-phenacetyliden imidazolidine-1-oxyl free radical

2,2,5,5-tetramethyl-4-phenacetyliden imidazolidine-1-oxyl free radical

C15H19N2O2 (259.1446454)


   

2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine

C16H18FNO (259.13723500000003)


   
   

ethyl 1-(2-amino-5-methylphenyl)-5-methyl-1H-imidazole-4-carboxylate

ethyl 1-(2-amino-5-methylphenyl)-5-methyl-1H-imidazole-4-carboxylate

C14H17N3O2 (259.1320702)


   

4-{[(2-Fluorobenzyl)oxy]methyl}piperidinehydrochloride

4-{[(2-Fluorobenzyl)oxy]methyl}piperidinehydrochloride

C13H19ClFNO (259.1139126)


   

N-(P-TOLYL)-[1,1-BIPHENYL]-4-AMINE

N-(P-TOLYL)-[1,1-BIPHENYL]-4-AMINE

C19H17N (259.1360922)


   

3-AMINO-3-(2-ETHOXYNAPHTHALEN-1-YL)-PROPIONIC ACID

3-AMINO-3-(2-ETHOXYNAPHTHALEN-1-YL)-PROPIONIC ACID

C15H17NO3 (259.1208372)


   

[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-pyran -4-yl]acetic acid

[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-pyran -4-yl]acetic acid

C12H21NO5 (259.1419656)


   

Benzyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

Benzyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

C15H17NO3 (259.1208372)


   

H-DL-Ala-DL-Leu-Gly-OH

H-DL-Ala-DL-Leu-Gly-OH

C11H21N3O4 (259.1531986)


   

5-Ethyl-7-methyl-5H-benzo[b]carbazole

5-Ethyl-7-methyl-5H-benzo[b]carbazole

C19H17N (259.1360922)


   

1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxylic acid

1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxylic acid

C14H17N3O2 (259.1320702)


   

3-(2-CARBOXY-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

3-(2-CARBOXY-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

C12H21NO5 (259.1419656)


   

2-((tert-butoxycarbonyl)amino)-2-(tetrahydro-2h-pyran-4-yl)acetic acid

2-((tert-butoxycarbonyl)amino)-2-(tetrahydro-2h-pyran-4-yl)acetic acid

C12H21NO5 (259.1419656)


   

3-methyl-N,N-diphenylaniline

3-methyl-N,N-diphenylaniline

C19H17N (259.1360922)


   

2-((3-(Trifluoromethyl)phenoxy)methyl)piperidine

2-((3-(Trifluoromethyl)phenoxy)methyl)piperidine

C13H16F3NO (259.1183922)


   

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole

C14H18BNO3 (259.1379668)


   

1-(2-(3-Trifluoromethylphenoxy)ethyl)pyrrolidine

1-(2-(3-Trifluoromethylphenoxy)ethyl)pyrrolidine

C13H16F3NO (259.1183922)


   

triphenylboron, ammonia complex

triphenylboron, ammonia complex

C18H18BN (259.15322180000004)


   

Benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate

Benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate

C16H21NO2 (259.1572206)


   

1-(4-DIMETHYLAMINO-2-HYDROXY-6-METHYL-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-HYDROXY-6-METHYL-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE

1-(4-DIMETHYLAMINO-2-HYDROXY-6-METHYL-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-HYDROXY-6-METHYL-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE

C15H17NO3 (259.1208372)


   

Benzenemethanamine, N,N-diphenyl-

Benzenemethanamine, N,N-diphenyl-

C19H17N (259.1360922)


   

1-Boc-4-Methoxy-4-Carbocylic acid

1-Boc-4-Methoxy-4-Carbocylic acid

C12H21NO5 (259.1419656)


   

2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile

C14H18BNO3 (259.1379668)


   

azanium,methyl 2-methylprop-2-enoate,oxiran-2-ylmethyl 2-methylprop-2-enoate

azanium,methyl 2-methylprop-2-enoate,oxiran-2-ylmethyl 2-methylprop-2-enoate

C12H21NO5+ (259.1419656)


   

(PHENOXYACETYL)AMINO]ACETICACID

(PHENOXYACETYL)AMINO]ACETICACID

C14H17N3O2 (259.1320702)


   

3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

C12H21NO5 (259.1419656)


   

trans-4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile

trans-4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile

C16H21NO2 (259.1572206)


   

4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one

4-benzyl-3-pent-4-enoyl-1,3-oxazolidin-2-one

C15H17NO3 (259.1208372)


   

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one

C14H18BNO3 (259.1379668)


   

2-Methyl-3-(trifluoromethyl)pivalanilide

2-Methyl-3-(trifluoromethyl)pivalanilide

C13H16F3NO (259.1183922)


   

tert-butyl N-[1-hydroxy-3-(oxan-3-yl)propan-2-yl]carbamate

tert-butyl N-[1-hydroxy-3-(oxan-3-yl)propan-2-yl]carbamate

C13H25NO4 (259.178349)


   

1,3,8-Triazaspiro[4.5]decane-2,4-dione,8-(phenylmethyl)-

1,3,8-Triazaspiro[4.5]decane-2,4-dione,8-(phenylmethyl)-

C14H17N3O2 (259.1320702)


   

4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

C16H21NO2 (259.1572206)


   

1-piperidin-4-yl-3-propylbenzimidazol-2-one

1-piperidin-4-yl-3-propylbenzimidazol-2-one

C15H21N3O (259.1684536)


   

2-Chloro-4-isopropylamino-6-(3-methoxypropylamino)-1,3,5-triazine

2-Chloro-4-isopropylamino-6-(3-methoxypropylamino)-1,3,5-triazine

C10H18ClN5O (259.1199808)


   

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

C14H18BNO3 (259.1379668)


   

2-amino-1,4-diphenylpyrrole-3-carbonitrile

2-amino-1,4-diphenylpyrrole-3-carbonitrile

C17H13N3 (259.11094180000003)


   

Glycyl-alanyl-leucine

Glycyl-alanyl-leucine

C11H21N3O4 (259.1531986)


   
   

tert-butyl 3-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate

tert-butyl 3-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate

C12H21NO5 (259.1419656)


   
   

1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-

1-ISOTHIOCYANATO-4-(TRANS-4-PROPYL-

C16H21NS (259.1394626)


   

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

C14H18BNO3 (259.1379668)


   

4-(TRIFLUOROMETHOXY)PHENYLBORONICACID

4-(TRIFLUOROMETHOXY)PHENYLBORONICACID

C12H21NO5 (259.1419656)


   

3-(4-METHOXYPHENYL)-5-(PIPERIDIN-3-YL)-1,2,4-OXADIAZOLE

3-(4-METHOXYPHENYL)-5-(PIPERIDIN-3-YL)-1,2,4-OXADIAZOLE

C14H17N3O2 (259.1320702)


   

TERT-BUTYL ((2S,4R)-1-HYDROXY-4-(HYDROXYMETHYL)HEPT-6-EN-2-YL)CARBAMATE

TERT-BUTYL ((2S,4R)-1-HYDROXY-4-(HYDROXYMETHYL)HEPT-6-EN-2-YL)CARBAMATE

C13H25NO4 (259.178349)


   
   

3-methyl-1-phenylpyrazolo[3,4-b]quinoline

3-methyl-1-phenylpyrazolo[3,4-b]quinoline

C17H13N3 (259.11094180000003)


   

N-hydroxy-5-(naphthalen-2-yloxy)pentanamide

N-hydroxy-5-(naphthalen-2-yloxy)pentanamide

C15H17NO3 (259.1208372)


   

(1R,2R,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER

(1R,2R,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER

C12H21NO5 (259.1419656)


   

3-indoxyl caprylate

3-indoxyl caprylate

C16H21NO2 (259.1572206)


   

4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline

4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline

C12H16F3N3 (259.1296252)


   

Ethyl 4-Boc-2-morpholinecarboxylate

Ethyl 4-Boc-2-morpholinecarboxylate

C12H21NO5 (259.1419656)


   

tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate

tert-Butyl ((S)-1-hydroxy-3-((R)-tetrahydro-2H-pyran-3-yl)propan-2-yl)carbamate

C13H25NO4 (259.178349)


   

4-(4-ETHYLPIPERAZIN-1-YL)-2-FLUOROANILINE HYDROCHLORIDE

4-(4-ETHYLPIPERAZIN-1-YL)-2-FLUOROANILINE HYDROCHLORIDE

C12H19ClFN3 (259.1251456)


   

benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate

C16H21NO2 (259.1572206)


   

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

C15H17NO3 (259.1208372)


   

3-CARBOXY-4-FLUOROPHENYLBORONICACID

3-CARBOXY-4-FLUOROPHENYLBORONICACID

C12H21NO5 (259.1419656)


   

Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate

Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate

C12H21NO5 (259.1419656)


   

Methyl 1-Boc-4-hydroxypiperidine-2-carboxylate

Methyl 1-Boc-4-hydroxypiperidine-2-carboxylate

C12H21NO5 (259.1419656)


   

ETHYL 3-(3-ETHOXY-3-OXOPROPANAMIDO)-3-METHYLBUTANOATE

ETHYL 3-(3-ETHOXY-3-OXOPROPANAMIDO)-3-METHYLBUTANOATE

C12H21NO5 (259.1419656)


   

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

C13H18BN3O2 (259.1491998)


   

1-(1-PYRIDIN-4-YL-ETHYL)-PIPERAZINE3HCL

1-(1-PYRIDIN-4-YL-ETHYL)-PIPERAZINE3HCL

C14H26ClNO (259.1702816)


   

(3S,4R)-1-Tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate

(3S,4R)-1-Tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate

C12H21NO5 (259.1419656)


   

Benzyl 4-amino-4-cyanopiperidine-1-carboxylate

Benzyl 4-amino-4-cyanopiperidine-1-carboxylate

C14H17N3O2 (259.1320702)


   

2,3-Dihydro-1H-Isoindol-1-one-4-boronic acid pinacol ester

2,3-Dihydro-1H-Isoindol-1-one-4-boronic acid pinacol ester

C14H18BNO3 (259.1379668)


   

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride

C16H21NO2 (259.1572206)


   

methyl (1R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

methyl (1R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate

C12H21NO5 (259.1419656)


   

(+/-)-1-AMINO-3-N-(4-BOC-PIPERAZINYL)-2-PROPANOL

(+/-)-1-AMINO-3-N-(4-BOC-PIPERAZINYL)-2-PROPANOL

C12H25N3O3 (259.189582)


   

1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE OXIME

1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE OXIME

C17H25NO (259.193604)


   

3-acetyl-7-diethylamino-chromen-2-one

3-acetyl-7-diethylamino-chromen-2-one

C15H17NO3 (259.1208372)


   

1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-METHOXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2R,4R)-

1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-METHOXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2R,4R)-

C12H21NO5 (259.1419656)


   

4-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzoic acid

4-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzoic acid

C15H17NO3 (259.1208372)


   

(2S,4S)-4-(Methoxymethyl)-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester

(2S,4S)-4-(Methoxymethyl)-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester

C12H21NO5 (259.1419656)


   
   

Ethyl 1-Boc-4-hydroxypyrrolidine-3-carboxylate

Ethyl 1-Boc-4-hydroxypyrrolidine-3-carboxylate

C12H21NO5 (259.1419656)


   

Methyl tripropanone oxime silane

Methyl tripropanone oxime silane

C10H21N3O3Si (259.1352116)


   

2-(pyrrolidin-1-yl)-1-p-tolylhexan-1-one

2-(pyrrolidin-1-yl)-1-p-tolylhexan-1-one

C17H25NO (259.193604)


   

1-tert-butyl 2-Methyl 3-hydroxypiperidine-1,2-dicarboxylate

1-tert-butyl 2-Methyl 3-hydroxypiperidine-1,2-dicarboxylate

C12H21NO5 (259.1419656)


   

3-Hydroxy agomelatine

3-Hydroxy agomelatine

C15H17NO3 (259.1208372)


3-Hydroxy agomelatine is a metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT2C receptor antagonist with an IC50 of 3.2 μM and a Ki of 1.8 μM[1].

   

1H-Indole, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dihydro-3,3-dimethyl-2-methylene-

1H-Indole, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dihydro-3,3-dimethyl-2-methylene-

C16H21NO2 (259.1572206)


   

ethyl 4-fluoro-4-Methyl-2-pent-4-enaMidopentanoate

ethyl 4-fluoro-4-Methyl-2-pent-4-enaMidopentanoate

C13H22FNO3 (259.1583634)


   

1-BOC-5-METHYL-3-FORMYLINDOLE

1-BOC-5-METHYL-3-FORMYLINDOLE

C15H17NO3 (259.1208372)


   

1-BOC-6-METHYL-3-FORMYLINDOLE

1-BOC-6-METHYL-3-FORMYLINDOLE

C15H17NO3 (259.1208372)


   

1-BOC-7-METHYL-3-FORMYLINDOLE

1-BOC-7-METHYL-3-FORMYLINDOLE

C15H17NO3 (259.1208372)


   
   

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanamine

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanamine

C15H22BNO2 (259.1743502)


   

4-(2,4-DIMETHYLPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID

4-(2,4-DIMETHYLPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID

C15H17NO3 (259.1208372)


   

1-tert-butyl 2-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate

1-tert-butyl 2-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate

C12H21NO5 (259.1419656)


   

2-carboethoxy-4-methoxy-1,6,7,8-tetrahydrocyclopent[g]indole

2-carboethoxy-4-methoxy-1,6,7,8-tetrahydrocyclopent[g]indole

C15H17NO3 (259.1208372)


   

ETHYL 2-(1-BENZYLPIPERIDIN-4-YLIDENE)ACETATE

ETHYL 2-(1-BENZYLPIPERIDIN-4-YLIDENE)ACETATE

C16H21NO2 (259.1572206)


   

Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

C15H17NO3 (259.1208372)


   

Celgosivir

Celgosivir

C12H21NO5 (259.1419656)


C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent

   

ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

C14H17N3O2 (259.1320702)


   

Dibenamine

Dibenamine

C16H18ClN (259.1127698)


D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists

   

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C17H25NO (259.193604)


D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents

   
   

1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one

1-Phenyl-2-(pyrrolidin-1-yl)heptan-1-one

C17H25NO (259.193604)


   
   

2H-1-Benzopyran-2-one, 6-methyl-4-(4-morpholinylmethyl)-

2H-1-Benzopyran-2-one, 6-methyl-4-(4-morpholinylmethyl)-

C15H17NO3 (259.1208372)


   

Leu-Ala-Gly

Leu-Ala-Gly

C11H21N3O4 (259.1531986)


A tripeptide composed of L-leucine, L-alanine and glycine joined in sequence by peptide linkages.

   

3,4-Dimethyl-alpha-pyrrolizinovalerophenone

3,4-Dimethyl-alpha-pyrrolizinovalerophenone

C17H25NO (259.193604)


   

Glycyl-alanyl-isoleucine

Glycyl-alanyl-isoleucine

C11H21N3O4 (259.1531986)


   
   
   
   
   

Glycyl-l-prolyl-l-serine

Glycyl-l-prolyl-l-serine

C10H17N3O5 (259.1168152)


   

Glycine, L-alanyl-L-leucyl-

Glycine, L-alanyl-L-leucyl-

C11H21N3O4 (259.1531986)


   

L-Alanine, glycyl-L-leucyl-

L-Alanine, glycyl-L-leucyl-

C11H21N3O4 (259.1531986)


   

tert-butyl 2-(1H-indol-3-ylmethylene)hydrazinecarboxylate

tert-butyl 2-(1H-indol-3-ylmethylene)hydrazinecarboxylate

C14H17N3O2 (259.1320702)


   
   

L-Prolyl-L-serylglycine

L-Prolyl-L-serylglycine

C10H17N3O5 (259.1168152)


   

(4s)-N~4~-(6-Methoxyquinolin-8-Yl)pentane-1,4-Diamine

(4s)-N~4~-(6-Methoxyquinolin-8-Yl)pentane-1,4-Diamine

C15H21N3O (259.1684536)


   

2-(2-Cyanoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran

2-(2-Cyanoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran

C16H21NO2 (259.1572206)


   

Dexpropranolol

Dexpropranolol

C16H21NO2 (259.1572206)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

Clobenzorexum

Clobenzorexum

C16H18ClN (259.1127698)


C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

   

(Tert-butyloxycarbonyl)-alanyl-alanyl-amine

(Tert-butyloxycarbonyl)-alanyl-alanyl-amine

C11H21N3O4 (259.1531986)


   

1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-1H-imidazole-4-carboxamide

1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-1H-imidazole-4-carboxamide

C14H17N3O2 (259.1320702)


   

(Tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide

(Tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide

C11H21N3O4 (259.1531986)


   

Eperisone

Eperisone

C17H25NO (259.193604)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

   

Clobenzorex

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine

C16H18ClN (259.1127698)


A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products

   

(2S)-5-amino-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-5-oxopentanoate

(2S)-5-amino-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-5-oxopentanoate

C11H21N3O4 (259.1531986)


   

N-(3-oxooctanoyl)-L-homoserine

N-(3-oxooctanoyl)-L-homoserine

C12H21NO5 (259.1419656)


   

(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-3-methylbutyl]amino}-5-oxopentanoate

(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-3-methylbutyl]amino}-5-oxopentanoate

C11H19N2O5- (259.1293904)


   

(2S)-2-azaniumyl-5-{[(1S,2S)-1-carboxylato-2-methylbutyl]amino}-5-oxopentanoate

(2S)-2-azaniumyl-5-{[(1S,2S)-1-carboxylato-2-methylbutyl]amino}-5-oxopentanoate

C11H19N2O5- (259.1293904)


   

gamma-Glu-Ala-Gly-CHO

gamma-Glu-Ala-Gly-CHO

C10H17N3O5 (259.1168152)


   
   

L-Isoleucyl-L-glutamate

L-Isoleucyl-L-glutamate

C11H19N2O5- (259.1293904)


   

2-Amino-5-oxo-5-[[1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]pentanoic acid

2-Amino-5-oxo-5-[[1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]pentanoic acid

C10H17N3O5 (259.1168152)


   

4-Oxopentanoylcarnitine

4-Oxopentanoylcarnitine

C12H21NO5 (259.1419656)


   

4-Methylpentanoylcarnitine

4-Methylpentanoylcarnitine

C13H25NO4 (259.178349)


   

3-Methylpentanoylcarnitine

3-Methylpentanoylcarnitine

C13H25NO4 (259.178349)


   
   

N8-Acetylspermidine dihydrochloride

Acetamide, N-(4-((3-aminopropyl)amino)butyl)-, dihydrochloride

C9H23Cl2N3O (259.1218088)


N8-Acetylspermidine dihydrochloride is a polyamine.

   

4-Hydroxy-3-piperidin-1-ylmethyl-chromen-2-one

4-Hydroxy-3-piperidin-1-ylmethyl-chromen-2-one

C15H17NO3 (259.1208372)


   

L-Isoleucyl-L-lysine

L-Isoleucyl-L-lysine

C12H25N3O3 (259.189582)


   
   
   

1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole

1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole

C17H13N3 (259.11094180000003)


   
   
   
   

1-[4-(2-Prop-2-enylphenoxy)butyl]pyrrolidine

1-[4-(2-Prop-2-enylphenoxy)butyl]pyrrolidine

C17H25NO (259.193604)


   

2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol

2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol

C16H18FNO (259.13723500000003)


   

3-phenyl-4-(phenylethynyl)-1H-pyrazol-5-amine

3-phenyl-4-(phenylethynyl)-1H-pyrazol-5-amine

C17H13N3 (259.11094180000003)


   
   
   
   
   
   
   

2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

N-[4-[(E)-N-acetamido-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide

N-[4-[(E)-N-acetamido-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide

C14H17N3O2 (259.1320702)


   

1-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

1-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

1-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

1-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)oxan-3-yl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

(2R)-2-hydroperoxytetradecanoate

(2R)-2-hydroperoxytetradecanoate

C14H27O4- (259.1909242)


   

1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2S,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2S,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2S,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2S,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

1-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-3-propan-2-ylurea

C12H25N3O3 (259.189582)


   

2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2R,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2R,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   

2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

C12H21NO5 (259.1419656)


   
   
   
   
   

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-pyridinecarboxamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-pyridinecarboxamide

C14H17N3O2 (259.1320702)


   

7,11-Dihydroxytetradecanoate

7,11-Dihydroxytetradecanoate

C14H27O4- (259.1909242)


   

2-[(1S)-8-Ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

2-[(1S)-8-Ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

C15H17NO3 (259.1208372)


   

Hexanoyl-L-carnitine-(N-methyl-d3), analytical standard

Hexanoyl-L-carnitine-(N-methyl-d3), analytical standard

C13H25NO4 (259.178349)


   

(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one

(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one

C16H21NO2 (259.1572206)


   

(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)hexan-3-one

(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)hexan-3-one

C16H21NO2 (259.1572206)


   

5-[4-(3-Aminopropylamino)butylamino]-5-oxopentanoic acid

5-[4-(3-Aminopropylamino)butylamino]-5-oxopentanoic acid

C12H25N3O3 (259.189582)


   

5-[3-(4-Aminobutylamino)propylamino]-5-oxopentanoic acid

5-[3-(4-Aminobutylamino)propylamino]-5-oxopentanoic acid

C12H25N3O3 (259.189582)


   

(2S)-2-(4-aminobutanoylamino)-5-(diaminomethylideneamino)pentanoic acid

(2S)-2-(4-aminobutanoylamino)-5-(diaminomethylideneamino)pentanoic acid

C10H21N5O3 (259.16443160000006)


   

3-Phenylacetyl-5-pentyl-2-isoxazoline

3-Phenylacetyl-5-pentyl-2-isoxazoline

C16H21NO2 (259.1572206)


   

N-Acetyl-glycyl-glycyl-alanine methyl ester

N-Acetyl-glycyl-glycyl-alanine methyl ester

C10H17N3O5 (259.1168152)


   

N-Acetyl-glycyl-alanyl-glycine methyl ester

N-Acetyl-glycyl-alanyl-glycine methyl ester

C10H17N3O5 (259.1168152)


   

Methyl 2-isopropyl-3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)

Methyl 2-isopropyl-3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)

C16H21NO2 (259.1572206)


   

N-(2-Butenyl)-N-(2-methyl-1-phenylpropyl)propanamide

N-(2-Butenyl)-N-(2-methyl-1-phenylpropyl)propanamide

C17H25NO (259.193604)


   

2-(1,4-Dihydroxybutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

2-(1,4-Dihydroxybutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

C13H25NO4 (259.178349)


   
   

(R)-(+)-propranolol

(R)-(+)-propranolol

C16H21NO2 (259.1572206)


   

L-Hexanoylcarnitine

L-Hexanoylcarnitine

C13H25NO4 (259.178349)


L-Hexanoylcarnitine is an acylcarnitine and is found to be associated with celiac disease.

   

gamma-Glu-Leu(1-)

gamma-Glu-Leu(1-)

C11H19N2O5 (259.1293904)


A peptide anion that is the conjugate base of gamma-Glu-Leu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.

   
   

L-Glutaminyl-L-leucine

L-Glutaminyl-L-leucine

C11H21N3O4 (259.1531986)


   
   

L-Glutaminyl-L-isoleucine

L-Glutaminyl-L-isoleucine

C11H21N3O4 (259.1531986)


   

ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate

C16H21NO2 (259.1572206)


   
   

Hydroxyprolyl-Glutamine

Hydroxyprolyl-Glutamine

C10H17N3O5 (259.1168152)


   
   

Leucyl-Gamma-glutamate

Leucyl-Gamma-glutamate

C11H21N3O4 (259.1531986)


   

Isoleucyl-Gamma-glutamate

Isoleucyl-Gamma-glutamate

C11H21N3O4 (259.1531986)


   

Hydroxyprolyl-Gamma-glutamate

Hydroxyprolyl-Gamma-glutamate

C10H17N3O5 (259.1168152)


   

(3Z)-ravenic acid

(3Z)-ravenic acid

C15H17NO3 (259.1208372)


A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,4-dione substituted at position 3 by a deca-2,4,6,8-tetraen-1-ylidene group which in turn is substituted by a hydroxy and methyl substituents at positions 1 and 4 respectively. It is an antibiotic isolated from Penicillium sp.

   

(1R,2S)-nortilidine

(1R,2S)-nortilidine

C16H21NO2 (259.1572206)


An ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver.

   
   

Glutaminylhydroxyproline

Glutaminylhydroxyproline

C10H17N3O5 (259.1168152)


   

(1S,2R)-nortilidine

(1S,2R)-nortilidine

C16H21NO2 (259.1572206)


A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for (1S,2R)-nortilidine, being metabolised to it by the liver.

   

O-hexanoylcarnitine

O-hexanoylcarnitine

C13H25NO4 (259.178349)


An O-acylcarnitine compound having hexanoyl as the acyl substituent.

   

O-hexanoyl-L-carnitine

O-hexanoyl-L-carnitine

C13H25NO4 (259.178349)


An O-hexanoylcarnitine that has L configuration.

   

gamma-Glu-Ile(1-)

gamma-Glu-Ile(1-)

C11H19N2O5 (259.1293904)


A peptide anion that is the conjugate base of gamma-Glu-Ile, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.

   
   
   
   
   
   
   
   
   

Isocaproylcarnitine

Isocaproylcarnitine

C13H25NO4 (259.178349)


   
   
   
   
   
   
   
   
   

Dopamine D2 receptor antagonist-1

Dopamine D2 receptor antagonist-1

C14H17N3S (259.11431220000003)


Dopamine D2 receptor antagonist-1 is a negative allosteric modulator (NAM) of the dopamine D2 receptor (D2R) with sub-mM affinity[1].

   

H-Gly-Ala-Hyp-OH

H-Gly-Ala-Hyp-OH

C10H17N3O5 (259.1168152)


H-Gly-Ala-Hyp-OH is a collagen tripeptide fragment[1].