Exact Mass: 257.1766126
Exact Mass Matches: 257.1766126
Found 274 metabolites which its exact mass value is equals to given mass value 257.1766126,
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
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
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
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
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].
(2R,5S)-2-allyl-5-((E)-hex-3-en-5-yn-1-yl)decahydroquinoline
(1R,4R)-1-(but-3-yn-1-yl)-4-(pent-4-yn-1-yl)octahydro-2H-quinolizine
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
2-(dimethylamino)ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
3-(2-DIMETHYLAMINOETHYLAMINO)PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C13H27N3O2 (257.21031619999997)
(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
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-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
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-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
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
2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
1-tert-Butoxycarbonylamino-cycloheptanecarboxylic acid
(E)-METHYL 3-(2-((TERT-BUTYLDIMETHYLSILYLOXY)-METHYL)FURO[3,2-B]PYRIDIN-6-YL)ACRYLATE
(r)-2-tert-butoxycarbonylamino-3-cyclopentyl-propionic acid
TERT-BUTYL 2-(2-METHOXY-2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE
tert-butyl 2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
3-Furancarboxamide,2-methyl-N-[2-methyl-6-(1-methylethyl)phenyl]-(9CI)
Acetamide,2-chloro-N,N-dicyclohexyl-
C14H24ClNO (257.15463239999997)
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
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
Pyrido[2,3-b]pyrazin-7-ylboronic acid pinacol ester
1-(4-AMINO-PIPERIDIN-1-YL)-ETHANONEHCL
C13H27N3O2 (257.21031619999997)
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
Methyl-(3-piperazin-1-yl-propyl)-carbamic acid tert-butyl ester
C13H27N3O2 (257.21031619999997)
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
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
(1R,2R)-ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENTANECARBOXYLATE
[1-(tert-butoxycarbonyl)-4-methylpiperidin-4-yl]acetic acid
FURAN-2-YLMETHYL-[1-(4-METHOXY-PHENYL)-BUT-3-ENYL]-AMINE
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
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.
15-Hydroxypentadecanoate
C15H29O3- (257.21165840000003)
An omega-hydroxy fatty acid anion that is the conjugate base of 15-hydroxypentadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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
N-[4-[3-(propanoylamino)propylamino]butyl]propanamide
C13H27N3O2 (257.21031619999997)
(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
5-[(4-Methyl-1-piperidinyl)methyl]-3-phenyl-1,2,4-oxadiazole
(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
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.
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
(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
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"}