Exact Mass: 261.1212
Exact Mass Matches: 261.1212
Found 500 metabolites which its exact mass value is equals to given mass value 261.1212,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Epilotaustralin is found in cereals and cereal products. Epilotaustralin is isolated from Triticum monococcum (wheat). Glycoside from Trifolium repens (white clover) and other plants Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
Imazapyr
CONFIDENCE standard compound; INTERNAL_ID 2630 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
methapyrilene
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
Phenindamine
Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold. Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid
Glycyl-Tryptophan
Glycyl-Tryptophan is a dipeptide composed of glycine and tryptophan. 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.
Epidermin
Epidermin is found in cereals and cereal products. Epidermin is a constituent of barley (Hordeum vulgare) Constituent of barley (Hordeum vulgare). Epidermin is found in barley and cereals and cereal products.
gamma-Glutamylasparagine
gamma-Glutamylasparagine is a dipeptide composed of gamma-glutamate and asparagine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylasparagine 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.
Serylarginine
Serylarginine is a dipeptide composed of serine and arginine. 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.
Asparaginylglutamic acid
Asparaginylglutamic acid is a dipeptide composed of asparagine and glutamic acid. 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.
Glutamylasparagine
Glutamylasparagine is a dipeptide composed of glutamate and asparagine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylasparagine 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.
Arginylserine
Arginylserine is a dipeptide composed of arginine and serine. 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.
Aspartyl-Glutamine
Aspartyl-Glutamine is a dipeptide composed of aspartate 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.
Glutaminylaspartic acid
Glutaminylaspartic acid is a dipeptide composed of glutamine and aspartic acid. 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.
Lysylaspartic acid
Lysylaspartic acid is a dipeptide composed of lysine and aspartic acid. 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.
Aspartyllysine
Aspartyllysine is a hydrophilic dipeptide composed of aspartic acid 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. Aspartyllysine is widely distributed in nature and is present in wheat, fish, and other nutrients. It has been demonstrated to be absorbed by the intestinal H+/peptide transporter PepT1. It is excreted by the kidney-specific high-affinity H+/peptide cotransport system (PMID:1982012, 9922316, 7589991). alpha-Aspartyl-lysine is an hydrophilic dipeptide widely distributed in nature. It is present in wheat, fish and other nutrients. It has been demonstrated to be absorbed aided by the intestinal H+/Peptide transporter PepT1. It is excreted by the kidney-specific high-affinity H+/peptide cotransport system. (PMID: 1982012, 9922316, 7589991) [HMDB]
Tryptophyl-Glycine
Tryptophyl-Glycine is a dipeptide composed of tryptophan and glycine. 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.
Gamma glutamyl ornithine
Gamma glutamyl ornithine is found in human urine. - PubMed reference: 1148212. Gamma-glutamylornithine has been identified in urine from patients with the HHH syndrome (hyperornithinemia, hyperammonemia and homocitrullinuria) and with gyrate atrophy associated with hyperornithinemia. The amount of gamma-glutamylornithine excreted was 10-15 times higher than that excreted in normal subjects. - PubMed reference: 6547887.
N6-beta-Aspartyllysine
N6-beta-Aspartyllysine is an unusual urinary dipeptide. This compound was observed in children in various disease states, but without any correlation with a particular symptom (PMID 618685). 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.
Aspartyl-Lysine
Aspartyl-Lysine is a dipeptide composed of aspartate 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.
Aspartyl-Gamma-glutamate
Aspartyl-Gamma-glutamate is a dipeptide composed of aspartate 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.
Camelinin
Camelinin is found in fats and oils. Camelinin is isolated from seeds of Camelina sativa (false flax). Isolated from seeds of Camelina sativa (false flax). Camelinin is found in fats and oils.
desmethylcyclobenzaprine
desmethylcyclobenzaprine is a metabolite of cyclobenzaprine. Cyclobenzaprine, brand name Flexeril, is a muscle relaxant medication used to relieve skeletal muscle spasms and associated pain in acute musculoskeletal conditions. It is the most well-studied drug for this application, and it also has been used off-label for fibromyalgia treatment. A new bedtime formulation of cyclobenzaprine is under development for the management of fibromyalgia syndrome. (Wikipedia)
Hydroxyl frovatriptan
Hydroxyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)
Succinyl Carnitine
Succinylcarnitine is an acylcarnitine. More specifically, it is an succinic 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. Succinylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Succinylcarnitine 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), it has been identified in the human placenta (PMID: 32033212 ). 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].
O-methylmalonyl-L-carnitine
O-methylmalonyl-L-carnitine is considered to be practically insoluble (in water) and acidic
Thenyldiamine
Thenyldiamine is an ethylenediamine H1-antihistamine.
O-Methylmalonylcarnitine
O-Methylmalonylcarnitine is an acylcarnitine. More specifically, it is an methylmalonic 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. O-Methylmalonylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine O-Methylmalonylcarnitine 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].
5-[1-Carboxy-2-(trimethylazaniumyl)ethoxy]-5-oxopentanoate
Acetamide, N-[2-(5-methoxy-1-nitroso-1H-indol-3-yl)ethyl]-
(2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid
Setiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant Setiptiline (Org-8282) is a serotonin receptor antagonist. Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine.
Ximoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Zilpaterol
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-N-nitrosoacetamide
Epiheterodendrin
Epiheterodendrin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Epiheterodendrin is soluble (in water) and a very weakly acidic compound (based on its pKa). Epiheterodendrin can be found in barley, which makes epiheterodendrin a potential biomarker for the consumption of this food product.
Bassiatin
A member of the class of morpholines that is morpholine-2,5-dione substituted by a benzyl, isopropyl and a methyl group at positions 3, 6 and 4 respectively. It is isolated from the culture broth of the fungus Beauveria bassiana and acts as a platelet aggregation inhibitor.
Zilpaterol
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
(+)-6beta-benzoyloxytropan-3alpha-ol|1alphaH,5alphaH-Tropan-3alpha,6beta-diol-6-benzoat|3alpha-Hydroxy-6beta-benzoyloxytropane|6beta-benzoyloxytropan-3alpha-ol|hydroxy-3alpha benzoyloxy-6beta tropane
(+/-)-Paraensine|4-hydroxy-3-(2-hydroxy-1,2-dimethyl-propyl)-1-methyl-1H-quinolin-2-one|paraensine|Paraensine+
(2E,4E,6E)-N-(2-methylpropyl)-7-(2-thienyl)-2,4-6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)-2,4,6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)heptatrienamide|N-Isobutylotanthusic acid amide|Otanthussaeure-isobutylamid
3alpha-(4-methoxybenzoyloxy)nortropane|merresectine A
Annomontine
An alkaloid that is beta-carboline substituted at position C-1 by a 2-aminopyrimidin-4-yl moiety. An antiparasitic agent found in Annona montana and Annona foteida.
Me glycoside,N,2-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
(-)-pinolinone|(3S,4R)-3,4-dihydroxy-1-methyl-3-(3-methylbut-2-en-1-yl)-3,4-dihydroquinolin-2(1H)-one|pinolinone
2-hydroxymethylbutanenitrile beta-D-glucopyranoside|supinanitriloside A
7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
Me glycoside,N,4-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
gamma-Glu-Orn|gamma-Glutamyl-alpha-ornitine|L-L-N2-gamma-Glutamylornithine
methyl 5-acetamido-1,7-anhydro-3,5-dideoxy-beta-D-galacto-octulopyranoside
3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
(2R)-2-methyl-3-(beta-D-glucopyranosyloxy)butanenitrile
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid
Tryptophylglycine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.392
Gly-Trp
A dipeptide formed from glycine and L-tryptophan residues.
C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl
C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile
C15H19NO3_4-Methoxy-5-methyl-6-[(3-methyl-2-buten-1-yl)oxy]-1-isoindolinone
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
Tris(2-hydroxyethyl) isocyanurate
CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2494; ORIGINAL_PRECURSOR_SCAN_NO 2492 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2502; ORIGINAL_PRECURSOR_SCAN_NO 2499 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2512; ORIGINAL_PRECURSOR_SCAN_NO 2508 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2513; ORIGINAL_PRECURSOR_SCAN_NO 2510 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2505; ORIGINAL_PRECURSOR_SCAN_NO 2504
ETHYL 1-BENZYL-3-HYDROXY- 2-OXO[5H]PYRROLE-4-CARBOXYLATE
Asp-lys
A dipeptide formed from L-alpha-aspartyl and L-lysine residues.
Lys-asp
A dipeptide formed from L-lysine and L-aspartic acid residues.
TRP-Gly
A dipeptide formed from L-tryptophan and glycine residues.
(2S,4R)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLICACIDMETHYLESTER,98\\%E.E.,95
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
4-Allyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol
(S)-TERT-BUTYL 4-OXO-2-PHENYLPYRROLIDINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-FORMYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzothiazole
2-(1,3-dioxoisoindol-2-yl)-4-methyl-pentanoic acid
tert-Butyl (5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylcarbamate
3-AMINO-3-(5,7-DIMETHYL-4-OXO-4H-CHROMEN-3-YL)-PROPIONIC ACID
6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-hexanoic
2-CHLORO-1-[2,5-DIMETHYL-1-(4-METHYLPHENYL)-1H-PYRROL-3-YL]-1-ETHANONE
(S)-2-amino-N-((S)-3-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)propanamide
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
(4-OXO-CYCLOHEXYLMETHYL)-CARBAMIC ACID BENZYL ESTER
Ethyl 1-methyl-4-oxo-5-phenyl-3-piperidinecarboxylate
Benzenemethanaminium,N,N-dimethyl-N-(phenylmethyl)-, chloride (1:1)
3-(1-Benzyl-pyrrolidin-3-yl)-3-oxo-propionic acid methyl ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole
ethyl 1-benzyl-3-hydroxy-5,6-dihydro-2H-pyridine-4-carboxylate
7-Ethoxycarbonylindole-2-carboxylic acid ethyl ester
8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
methyl 1-(2-phenylethyl)-4-oxo-piperidine-3-carboxylate
ethyl 2-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
3-Quinolinecarboxylic acid, 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester
4-(4,4-Dimethyl-2,6-dioxo-1-piperidinyl)benzoic acid
tert-butyl 7-formyl-3,4-dihydro-2H-quinoline-1-carboxylate
Benzenemethanamine,a-methyl-N-[(1R)-1-phenylethyl]-,hydrochloride (1:1), (aR)-
ETHYL 3H-SPIRO[ISOBENZOFURAN-1,4-PIPERIDINE]-1-CARBOXYLATE
1-BENZYL-5-METHYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
1,1-(4-allyloxy-6-ethylamino-1,3-phenylene)diethanone
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
1-Piperidinecarboxylic acid, 4-ethenyl-4-hydroxy-, phenylmethyl ester
1H-Pyrrole-2,5-dione,1-[2-(3,4-dimethoxyphenyl)ethyl]-
3,3-({[(2-Methyl-2-propanyl)oxy]carbonyl}imino)dipropanoic acid (non-preferred name)
5,6-DIHYDRO-1,3(2H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER
Benzenamine,2-methyl-4-[2-(2-methylphenyl)diazenyl]-, hydrochloride (1:1)
2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-3-METHYLPENTANOIC ACID
Ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
(2-Oxo-2,3,5,6-tetrahydrospiro[indole-3,4-pyran]-1(2H)-yl)ac etic acid
6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1-BENZOYL-PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER
methyl (E)-3-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
methyl 2-[(4-fluorophenyl)-(1,2,4-triazol-1-yl)methyl]prop-2-enoate
2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)thioxanthen-9-one
N-(3-aminopropyl)-1,1,2,2,3,3,4,4-octadeuteriobutane-1,4-diamine,trihydrochloride
1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-5-CARBOXYLIC ACID
4-ALLYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(METHOXY)PHENYL]-3-PYRIDINECARBOXYLIC ACID
ethyl 4,4-difluoro-3-oxo-2-(piperidin-1-ylmethylene)butanoate
4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate
(4-CHLORO-PHENYL)-(5-HYDROXY-CYCLOPENT-1-ENYL)-METHANONE
4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
3-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]THIAZOLE
1-Benzyl-3-Oxo-Piperidine-4-Carboxylic Acid Ethyl Ester
benzyl (2S)-2-(2-oxoethyl)piperidine-1-carboxylate
1-METHYL-5-AMINO-1H-BENZIMIDAZOLE-2-BUTANOIC ACID ETHYLESTER
(R)-3-FORMYL-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide
boc-(r)-5,5-dimethylthiazolidine-4-carboxylic acid
tert-Butyl 3-formyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
1,3-PIPERIDINEDICARBOXYLIC ACID, 3-FLUORO-, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
METHYL 2,3-DIMETHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-one
1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
1-(1,3-Benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone
(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
l-1,2-Diphenyl-1-dimethylaminoethane hydrochloride
3-(Benzyl(methyl)amino)-1-(thiophen-2-yl)propan-1-ol
(3r,11Bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid
(4R)-3-tert-Butoxycarbonyl-2,2-dimethylthiazolidine-4-carboxylic acid
1H-Indole-2-carboxylic acid, 1-(trimethylsilyl)-, ethyl ester
N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
[2-Aminomethyl-5-Oxo-4-(4-Oxo-Cyclohexa-2,5-Dienylmethyl)-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde
pentalenolactone E(1-)
A monocarboxylic acid anion that is the conjugate base of pentalenolactone E, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-[(5-Amino-1-hydroxy-1-oxopentan-2-yl)amino]pentanedioic acid
(2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
2,6-Diamino-7-(1-carboxyethylamino)-7-oxoheptanoic acid
thenyldiamine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
ximoprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[1-Carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
3-[(2R)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
(2S)-2-Amino-3-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropanoic acid
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Ala-Asp-Gly
A tripeptide composed of L-alanine, L-aspartic acid, and glycine units joined in sequence by peptide linkages.
2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
2-Methyl-5-phenyl-3,5-dihydropyrazolo[1,5-c]quinazoline
Thr-Ala-Ala
A tripeptide composed of L-threonine and two L-alanine units joined by peptide linkages.
8-Methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
(2Z)-2-{[(2,5-dimethoxyphenyl)amino]methylidene}cyclohexanone
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid propyl ester
(3Z,6Z)-dodeca-3,6-dien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
(3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group.
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-oxopentanoate
6-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]hexanoate
(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
1-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-3-propan-2-ylthiourea
(4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxopentanoate
(5R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhexanoate
1H-Indole-2,3-dione, 5-isopropyl-1-(trimethylsilyl)-
N-(3,3-Dideutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
N-(2,2-Dideutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
N-(2,2,3,3-Tetradeutero-3-(4-methoxyphenyl)propionyl)piperidin-2-one
1,1,1,3,3,3-(Hexamethyl)-2-(trimethylsilylmethyl)trisilane
methapyrilene
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AC - Substituted ethylene diamines D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents
O-methylmalonylcarnitine
An O-acylcarnitine having methylmalonyl as the acyl substituent.
O-methylmalonyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is methylmalonyl.
oscr#12(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#12, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-deoxy-5,6-dihydroxy-5,6-dihydrocytidine
A nucleoside analogue that is the 5,6-dihydroxy-5,6-dihydro derivative of cytidine. It is a metabolite produced by the bacterium Mycoplasma genitalium.
4,4-Diphenylbutylamine (hydrochloride)
4,4-Diphenylbutylamine shows affinity for the 5-HT2A and H1 receptors with Kis of 2589 and 1670 nM, respectively[1].
(5e)-7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
4-{9h-pyrido[3,4-b]indol-1-yl}-1h-pyrimidin-2-imine
(2r,4s,5e)-7-(4-aminophenyl)-2,4-dimethyl-7-oxohept-5-enoic acid
(1ar,7r,7ar,7bs)-4-amino-1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalene-2,3,5-trione
n-{[(1r,9s)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]methyl}ethanimidic acid
(2r)-3-methyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanenitrile
15-methoxy-4-oxa-9-azatetracyclo[7.7.0.0¹,¹².0²,⁶]hexadeca-2(6),12-dien-3-one
3-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)prop-2-en-1-one
4-hydroxy-3-[(2r)-3-hydroxy-3-methylbutan-2-yl]-1-methylquinolin-2-one
9-[(5-hydroxy-4-methyl-2h-pyrrol-2-yl)methyl]-6-methyl-7-oxatricyclo[4.3.0.0³,⁹]nonan-8-one
4-hydroxy-3-(3-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
(2e)-3-(4-hydroxy-3-methoxyphenyl)-1-(piperidin-1-yl)prop-2-en-1-one
3',5'-dimethoxy-cinnamicacid pyrrolidine
{"Ingredient_id": "HBIN007652","Ingredient_name": "3',5'-dimethoxy-cinnamicacid pyrrolidine","Alias": "NA","Ingredient_formula": "C15H19NO3","Ingredient_Smile": "COC1=CC(=CC(=C1)C=CC(=O)N2CCCC2)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6215","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
