Exact Mass: 257.1579692
Exact Mass Matches: 257.1579692
Found 384 metabolites which its exact mass value is equals to given mass value 257.1579692,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Levorphanol
Levorphanol is only found in individuals that have used or taken this drug. It is a narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection. [PubChem]Like other mu-agonist opioids it is believed to act at receptors in the periventricular and periaqueductal gray matter in both the brain and spinal cord to alter the transmission and perception of pain. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
carmofur
C11H16FN3O3 (257.11756379999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents Same as: D01784 Carmofur (HCFU) is a rat recombinant acid ceramidase inhibitor with an IC50 of 29 nM. Carmofur is also a protease inhibitor of SARS-CoV-2 main protease (Mpro), fatty acid amide hydrolase (FAAH) and N-acylethanolamine acid amidase (NAAA). Carmofur has anti-cancer, anti-inflammatory and anti-virus activities, and can be used for the study of COVID-19 and acute lung injury (ALI)[1][2][3].
4a-Hydroxytetrahydrobiopterin
C9H15N5O4 (257.11239900000004)
Tetrahydrobiopterin (BH4) is essential for catalyzing the conversion of phenylalanine into tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin (CAS: 70110-58-6) intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both be derived from alternate breakdown routes of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin (PMID: 8323303). Tetrahydrobiopterin (BH4) is essential to catalyze the conversion of phenylalanine to tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both derive from alternate routes of breakdown of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin. (PMID 8323303) [HMDB]
Tetrahydroneopterin
C9H15N5O4 (257.11239900000004)
Tetrahydroneopterin is a reduced form of neopterin. [HMDB] Tetrahydroneopterin is a reduced form of neopterin.
Indolmycin
A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by methylamino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.
Procarbazine hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
(2R)-2-amino-3-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylpropanoic acid
Coumaperine
Coumaperine is found in herbs and spices. Coumaperine is isolated from the fruits of pepper (Piper nigrum) (Piperaceae). Isolated from the fruits of pepper (Piper nigrum) (Piperaceae). Coumaperine is found in herbs and spices.
2-Hexenoylcarnitine
2-Hexenoylcarnitine is an acylcarnitine. More specifically, it is an 2-hexenoic 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. 2-Hexenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 2-hexenoylcarnitine 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. In particular 2-hexenoylcarnitine is elevated in the blood or plasma of individuals with obesity in aldolenscens (PMID: 26910390). It is also decreased in the blood or plasma of individuals with adolescent idiopathic scoliosis (PMID: 26928931). 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]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Lauroylglycine
N-Lauroylglycine is an acylglycine with C-12 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Lauroylglycine is an acylglycine with C-12 fatty acid group as the acyl moiety.
3-Methoxymorphinan
3-Methoxymorphinan is only found in individuals that have used or taken Dextromethorphan. 3-Methoxymorphinan is a metabolite of Dextromethorphan. 3-methoxymorphinan 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.
Dextrorphan
Dextrorphan is a metabolite of Dextromethorphan. Dextrorphan (DXO) is a psychoactive drug of the morphinan chemical class which acts as an antitussive or cough suppressant and dissociative hallucinogen. It is the dextro-stereoisomer of racemorphan, the levo-half being levorphanol. Dextrorphan is produced by O-demethylation of dextromethorphan by CYP2D6. Dextrorphan is an NMDA antagonist and contributes to the psychoactive effects of dextromethorphan. (Wikipedia) D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D020011 - Protective Agents
4-Hexenoylcarnitine
4-Hexenoylcarnitine is an acylcarnitine. More specifically, it is an hex-4-enoic 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-Hexenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hexenoylcarnitine 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. In particular 4-Hexenoylcarnitine is elevated in the blood or plasma of individuals with obesity in aldolenscens (PMID: 26910390). It is also decreased in the blood or plasma of individuals with adolescent idiopathic scoliosis (PMID: 26928931). 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].
(3E)-Hexenoylcarnitine
(3E)-Hexenoylcarnitine is an acylcarnitine. More specifically, it is an (3E)-hex-3-enoic 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. (3E)-Hexenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (3E)-Hexenoylcarnitine 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. In particular (3E)-Hexenoylcarnitine is elevated in the blood or plasma of individuals with obesity in aldolenscens (PMID: 26910390). It is also decreased in the blood or plasma of individuals with adolescent idiopathic scoliosis (PMID: 26928931). 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].
Alazocine
Carmofur
C11H16FN3O3 (257.11756379999997)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D000970 - Antineoplastic Agents Carmofur (HCFU) is a rat recombinant acid ceramidase inhibitor with an IC50 of 29 nM. Carmofur is also a protease inhibitor of SARS-CoV-2 main protease (Mpro), fatty acid amide hydrolase (FAAH) and N-acylethanolamine acid amidase (NAAA). Carmofur has anti-cancer, anti-inflammatory and anti-virus activities, and can be used for the study of COVID-19 and acute lung injury (ALI)[1][2][3].
Chlorazine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Coumarin 10
Medifoxamine
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Medifoxamine is a monoamine re-uptake inhibiting antidepressive agent which preferentially inhibits dopamine reuptake[1].
(2S)-2-Amino-6-[(3-formylpiperidin-1-yl)amino]hexanoic acid
4alpha-hydroxy-tetrahydrobiopterin
C9H15N5O4 (257.11239900000004)
4alpha-hydroxy-tetrahydrobiopterin, also known as 4a-hthb, belongs to biopterins and derivatives class of compounds. Those are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. 4alpha-hydroxy-tetrahydrobiopterin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4alpha-hydroxy-tetrahydrobiopterin can be found in a number of food items such as garden cress, japanese pumpkin, tronchuda cabbage, and arctic blackberry, which makes 4alpha-hydroxy-tetrahydrobiopterin a potential biomarker for the consumption of these food products. In humans, 4alpha-hydroxy-tetrahydrobiopterin is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, tryptophan metabolism, and tyrosine metabolism. 4alpha-hydroxy-tetrahydrobiopterin is also involved in several metabolic disorders, some of which include hawkinsinuria, monoamine oxidase-a deficiency (MAO-A), phenylketonuria, and tyrosinemia type 3 (TYRO3). 4α-hydroxy-tetrahydrobiopterin, also known as 4a-hthb, belongs to biopterins and derivatives class of compounds. Those are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. 4α-hydroxy-tetrahydrobiopterin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 4α-hydroxy-tetrahydrobiopterin can be found in a number of food items such as garden cress, japanese pumpkin, tronchuda cabbage, and arctic blackberry, which makes 4α-hydroxy-tetrahydrobiopterin a potential biomarker for the consumption of these food products. In humans, 4α-hydroxy-tetrahydrobiopterin is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, tryptophan metabolism, and tyrosine metabolism. 4α-hydroxy-tetrahydrobiopterin is also involved in several metabolic disorders, some of which include hawkinsinuria, monoamine oxidase-a deficiency (MAO-A), phenylketonuria, and tyrosinemia type 3 (TYRO3).
Schinifoline
Schinifoline is a member of quinolines. Schinifoline is a natural product found in Zanthoxylum simulans and Zanthoxylum schinifolium with data available.
3alpha-cinnamoyloxynortropane|nortropinyl cinnamate
trans-6--hex-5-enamid|trans-6-[trans-2-(1-butenyl)-4-tolyl]-hex-5-enamid
(2E,4E)-N-[2-(methylsulfinyl)ethyl]-2,4-decadienamide
A natural product found in Piper boehmeriaefolium.
(2S)-N-cis-cinnamoyl-2-(2-oxo-propyl)-pyrrolidine|(2S)-N-cis-cinnamoyl-2-oxopropyrrolidine|cis-dendrochrysanine
(2R,4S,6R,2?S)-N-methyl-2-(2-oxobutyl)-6-(2-hydroxybutyl)piperidin-4-ol|lobechidine A
(+/-)erythro-N-isobutyl-4,5-dihydroxy-2(E)-decenamide|N-isobutyl-4,5-dihydroxy-2E-decaenamide|sylvamide
(2E,4Z)-N-(2-methylbutyl)dodeca-2,4-diene-8,10-diynamide|dodeca-2E,4Z-dien-8,10-diynoic acid 2-methylbutylamide|dodeca-2E,4Z-diene-8,10-diynoic acid 2-methylbutylamide|N-(2-Methylbutyl)-2,4-dodecadiene-8,10-diynamide|N-(2-methylbutyl)dodeca-2E,4Z-diene-8,10-diynamide
(2E,7Z)-N-(isobutyl)-2,7-tridecadiene-10,12-diynamide|(2E,7Z)-N-isobutyl-2,7-tridecadiene-10,12-diynamide|2-Methylpropylamide-(2E,7Z)-2,7-Tricecadiene-10,12-diynoic acid|trideca-2E,7Z-dien-10,12-diynoic acid isobutylamide|trideca-2E,7Z-diene-10,12-diynoic acid isobutylamide|trideca-2t,7c-dien-10,12-diynoic acid isobutylamide
(8aR,9R,11R,12aR)-6,7,8,8a,9,10,11,12-octahydro-11-methyl-1,9-ethanobenzo[i]quinolizin-13,14-dione|huperzine E
C14H15N3O2_2,5-Piperazinedione, 3-(1H-indol-3-ylmethyl)-6-methyl
dextrorphan
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D020011 - Protective Agents
3-Methoxymorphinan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Medifoxamine
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Medifoxamine is a monoamine re-uptake inhibiting antidepressive agent which preferentially inhibits dopamine reuptake[1].
Levorphanol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
1-tert-Butyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
2-(dimethylamino)ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
1,2-dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
7-Benzyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione
(R)-TERT-BUTYL 3-(2-METHOXY-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATE
(2R,6R,8S,12S)-1-AZA-10-OXO-12-PHENYLTRICYCLO[6.4.01,8.02,6]DODECAN-9-ONE
(R)-1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
Indolidan
C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1-(2-CYCLOPROPYL-ETHYL)-6-FLUORO-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
1-(TERT-BUTOXYCARBONYL)-3-ETHYLPIPERIDINE-3-CARBOXYLIC ACID
3-(2-DIPROPYLAMINO-ETHYL)-PHENOL HYDROCHLORIDE
C14H24ClNO (257.15463239999997)
3-Amino-N,N-diethyl-4-(methylamino)benzenesulfonamide
4-(4-hydroxypiperidin-1-yl)quinazoline-6-carbaldehyde
3-(N-ethyl-3-methylanilino)propane-1-sulfonic acid
3-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
3-AMINO-N-((DIMETHYLAMINO)ETHYL)-N-METHYLBENZENESULFONAMIDE
4-AMINO-N-((DIMETHYLAMINO)ETHYL)-N-METHYLBENZENESULFONAMIDE
Isoquinoline,6,7-diethoxy-1,2,3,4-tetrahydro-, hydrochloride (1:1)
tert-butyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
1-(TERT-BUTOXYCARBONYL)-2-METHYLAZEPANE-2-CARBOXYLIC ACID
1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylic acid
1-tert-butyl-2,3,6,7-tetrahydro-1H-phosphepin-1-ium,tetrafluoroborate
1-tert-butyl 2-ethyl 5-oxopyrrolidine-1,2-dicarboxylate
1-[3-(diethylaminomethyl)-4-hydroxyphenyl]ethanone,hydrochloride
1-(TERT-BUTOXYCARBONYL)-6,6-DIMETHYLPIPERIDINE-3-CARBOXYLIC ACID
TERT-BUTYL 4-[(2Z)-2-AMINO-2-(HYDROXYIMINO)ETHYL]PIPERIDINE-1-CARBOXYLATE
1-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
(2S,4S,5R)-TERT-BUTYL 5-ETHYL-2-(2-HYDROXYETHYL)PIPERIDINE-4-CARBOXYLATE
acetic acid,1-methyl-5H-pyrido[4,3-b]indol-3-amine
1-TERT-BUTYL 2-METHYL 2-(2-OXOETHYL)AZETIDINE-1,2-DICARBOXYLATE
N-[2-(1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)ethyl]propanamide
TERT-BUTYL4-TERT-BUTYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
Ethyl 3-[benzyl(methyl)amino]-2,2-difluoropropanoate
2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole
1-tert-Butoxycarbonylamino-cycloheptanecarboxylic acid
ETHYL 1-(ETHOXYCARBONYL)-4-OXO-3-PIPERIDINEACETATE
2,5-dimethyl-4-(morpholinomethyl)phenol hydrochloride
3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)(METHYL)AMINO]BENZOICACID
(E)-METHYL 3-(2-((TERT-BUTYLDIMETHYLSILYLOXY)-METHYL)FURO[3,2-B]PYRIDIN-6-YL)ACRYLATE
(S)-1-tert-butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate
ethyl 1-(tert-butoxycarbonylamino)-3-oxo-cyclobutanecarboxylate
3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone hydrochloride
N-Trimethoxysilylpropyl-N,N,N-Trimethyl Ammonium Chloride
(r)-2-tert-butoxycarbonylamino-3-cyclopentyl-propionic acid
methyl 1-pyridin-2-yl-4,5,6,7-tetrahydroindazole-5-carboxylate
2-[[4-[bis(2-hydroxyethyl)amino]phenyl]methylidene]propanedinitrile
TERT-BUTYL 2-(2-METHOXY-2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE
Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo- (9CI)
tert-butyl 2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
4-Oxo-1,2-piperidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester
3-Furancarboxamide,2-methyl-N-[2-methyl-6-(1-methylethyl)phenyl]-(9CI)
Acetamide,2-chloro-N,N-dicyclohexyl-
C14H24ClNO (257.15463239999997)
6-Benzyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
1-TERT-BUTYL 4-METHYL 3-OXOPIPERIDINE-1,4-DICARBOXYLATE
N4,N4-DIMETHYL-N6-(PIPERIDIN-4-YL)PYRIMIDINE-4,6-DIAMINE HYDROCHLORIDE
(S)-TERT-BUTYL 2-(2-METHOXY-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATE
Ethyl (1S,2R)-2-(Boc-amino)cyclopentanecarboxylate
Ethyl (1R,2S)-2-(Boc-amino)cyclopentanecarboxylate
1,1,7,7-Tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carbaldehyde
Phosphoramidic acid,(2-phenylethyl)-, diethyl ester (9CI)
C12H20NO3P (257.11807400000004)
2-(cis-4-((tert-Butoxycarbonyl)amino)cyclohexyl)acetic acid
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-indeno[2,1-c]pyran-1-yl)ethanamine
1-ETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester
3-(TERT-BUTOXYCARBONYL(CYCLOPENTYL)AMINO)PROPANOICACID
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid
1-O-tert-butyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
4-OXO-2-PIPERIDIN-1-YL-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE
ethyl (E)-3-phenyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
1H-1-Benzazepine-1-carboxamide,2,3,4,5-tetrahydro-N-1H-1,2,4-triazol-3-yl-
tert-butyl 4-(2-methoxy-2-oxo-ethyl)piperidine-1-carboxylate
4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
N-Benzyl-1-(4-fluorophenyl)-2-methyl-2-aminopropane
1-O-tert-butyl 3-O-methyl 6-methylpiperidine-1,3-dicarboxylate
tert-butyl 3-(2-ethoxy-2-oxoethyl)pyrrolidine-1-carboxylate
(1S,3S,4R)-methyl 2-((R)-1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
1-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
1-TERT-BUTYL 3-METHYL 3-METHYLPIPERIDINE-1,3-DICARBOXYLATE
tert-Butyl 3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
1-((3AR,6S,7AS)-8,8-DIMETHYL-2,2-DIOXIDOHEXAHYDRO-1H-3A,6-METHANOBENZO[C]ISOTHIAZOL-1-YL)ETHANONE
Benzyl (2S)-3-methyl-2-(methylamino)butanoatehydrochloride
2-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL)ACETIC ACID
Tapentadole HCl
C14H24ClNO (257.15463239999997)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators
(S)-3-Benzyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
(1R,2R)-ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENTANECARBOXYLATE
1-TERT-BUTYL 2-METHYL 3-OXOPIPERIDINE-1,2-DICARBOXYLATE
[1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]acetic acid
FURAN-2-YLMETHYL-[1-(4-METHOXY-PHENYL)-BUT-3-ENYL]-AMINE
4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)(METHYL)AMINO]BENZOICACID
Methyl trans-4-(tert-butoxycarbonylamino)cyclohexanecarboxylate
(3R,4R)-1-(TERT-BUTOXYCARBONYL)-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLIC ACID
(S)-tert-Butyl 3-((S)-1-hydroxy-3-methylbutyl)pyrrolidine-1-carboxylate
methyl 2-methylprop-2-enoate,prop-2-enenitrile,styrene
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3-allyl-6,11-dimethyl-
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
(+)-3-Methoxymorphinan
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
3-(1H-Indol-3-ylmethyl)-6-methyl-2,5-piperazinedione
1,2-Dimethyl-4-[ethyl(phenyl)amino]-6-(methylamino)-1-pyrimidinium
Ala-Ala-Pro
A tripeptide composed of two L-alanyl units and an L-proline joined by peptide linkages.
chanoclavine-I(1+)
An organic cation that is the conjugate acid of chanoclavine-I, obtained by protonation of the secondary amino group.
fumigaclavine B(1+)
An ammonium ion obtained by the protonation of the tertiary amino group of the fumigaclavine B; major species pH 7.3.
(6R,7R)-N-methyl-7-(2-methyl-3-oxopropyl)-2-azatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-aminium
5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-ol
(6R)-L-threo-5,6,7,8-tetrahydroneopterin
C9H15N5O4 (257.11239900000004)
(5R)-6-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-5-hydroxyhexanoate
(E)-3-hydroxy-4-oxo-3-[(trimethylazaniumyl)methyl]non-5-enoate
(2S)-2-Amino-6-[(3-formylpiperidin-1-yl)amino]hexanoic acid
5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridine
N-[(4S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]benzamide
N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
1-(2-Fluoro-3,4-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol
1-(3-Fluoro-4,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol
7,7-Dimethyl-2-(1-pyrrolidinyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
5-[(4-Methyl-1-piperidinyl)methyl]-3-phenyl-1,2,4-oxadiazole
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
(1S,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
(2S)-N-Tert-butoxycarbonyl-2-(4-hydroxy-1-oxobutyl)pyrrolidine
4a-Hydroxytetrahydrobiopterin
C9H15N5O4 (257.11239900000004)
A tetrahydropterin that is 5,6,7,8-tetrahydrobiopterin carrying an additional hydroxy substituent at the 4a-position. A 4a-hydroxytetrahydrobiopterin which has R configuration at position 6 and in which the dihydroxypropyl substituent has L-erythro configuration.
dihydrochanoclavine-I aldehyde(1+)
A cationic ergot alkaloid that is the conjugate acid of dihydrochanoclavine-I aldehyde, obtained by protonation of the secondary amino group; major species at pH 7.3.
2-Amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-1,5,6,7-tetrahydropteridin-4-one
C9H15N5O4 (257.11239900000004)
O-hexenoylcarnitine
An O-acyl carnitine in which the acyl group specified is hexenoyl.
O-hexenoyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is hexenoyl in which the position of the double bond is unspecified.
(2e,4z)-n-(2-methylbutyl)dodeca-2,4-dien-8,10-diynimidic acid
(2s,4e,6e,11e)-12-(pyridin-3-yl)dodeca-4,6,11-trien-2-ol
(5r)-5-[(1s)-1-(1h-indol-3-yl)ethyl]-2-(methylimino)-5h-1,3-oxazol-4-ol
(1s,10s,11s)-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4,6-trien-9-one
8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate
(1r,3s,5s)-8-azabicyclo[3.2.1]octan-3-yl (2e)-3-phenylprop-2-enoate
4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexa-2,5-dien-1-one
(3r,6s)-3-(1h-indol-3-ylmethyl)-6-methyl-3,6-dihydropyrazine-2,5-diol
5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylimino)-5h-1,3-oxazol-4-ol
4,5-DIHYDROXY-N-(2-METHYLPROPYL)DEC-2-ENAMIDE
{"Ingredient_id": "HBIN010025","Ingredient_name": "4,5-DIHYDROXY-N-(2-METHYLPROPYL)DEC-2-ENAMIDE","Alias": "NA","Ingredient_formula": "C14H27NO3","Ingredient_Smile": "CCCCCC(C(C=CC(=O)NCC(C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11267","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e)-5-(acetyloxy)-n-(3-methoxy-3-oxopropyl)-3-methylpent-2-enimidic acid
8-azabicyclo[3.2.1]octan-3-yl 3-phenylprop-2-enoate
(2e,4s,5s)-4,5-dihydroxy-n-(2-methylpropyl)dec-2-enimidic acid
5-[1-(1h-indol-3-yl)ethyl]-2-(methylimino)-5h-1,3-oxazol-4-ol
(1r,11r)-7-methyl-2-oxa-15-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-3(8),4,6-trien-9-one
(1r,3s,5s)-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate
1-[2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
5-(4-hydroxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one
(2e,4z)-n-[(2s)-2-methylbutyl]dodeca-2,4-dien-8,10-diynimidic acid
(5s)-5-[(1r)-1-(1h-indol-3-yl)ethyl]-2-(methylimino)-5h-1,3-oxazol-4-ol
(2s)-1-[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}propanoyl]pyrrolidine-2-carboxylic acid
15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadeca-7,9-diene-11,12-dione
2-[(8ar)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-3-methylphenol
3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl 2-methylbutanoate
2,4,5-trihydroxy-3,6-bis(2-methylpropyl)-1-oxo-1h-1λ⁵-pyrazin-1-ylium
(2e)-4,5-dihydroxy-n-(2-methylpropyl)dec-2-enimidic acid
(2z)-1-[(2s)-2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
n-(2-methylpropyl)trideca-2,7-dien-10,12-diynimidic acid
1-(1-methylpyrrolidin-2-yl)-6-phenylhexa-3,5-dien-2-ol
(3s,6s)-3-(1h-indol-3-ylmethyl)-6-methyl-3,6-dihydropyrazine-2,5-diol
(2r,3e,5e)-1-[(2r)-1-methylpyrrolidin-2-yl]-6-phenylhexa-3,5-dien-2-ol
(2e,7z)-n-(2-methylpropyl)trideca-2,7-dien-10,12-diynimidic acid
4-methoxy-1-methyl-3-(3-methylbut-2-en-1-yl)quinolin-2-one
(2e)-1-[(2s)-2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
5-(acetyloxy)-n-(3-methoxy-3-oxopropyl)-3-methylpent-2-enimidic acid
(2s,5e,8e,10e)-12-(pyridin-3-yl)dodeca-5,8,10-trien-2-ol
4-{[(2e)-5-(acetyloxy)-1-hydroxy-3-methylpent-2-en-1-ylidene]amino}butanoic acid
(1s,12s,14r)-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6(17),7,9,15-tetraen-14-ol
4,5-dihydroxy-n-(2-methylpropyl)dec-2-enimidic acid
(4as,6r)-6-[(1r,2s)-1,2-dihydroxypropyl]-2-imino-1,5,6,7-tetrahydropteridine-4,4a-diol
C9H15N5O4 (257.11239900000004)