Exact Mass: 231.0541
Exact Mass Matches: 231.0541
Found 478 metabolites which its exact mass value is equals to given mass value 231.0541,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-2-acetamido-6-oxopimelic acid
(S)-2-acetamido-6-oxopimelic acid is an oxo dicarboxylic acid, a N-acyl-amino acid and a dicarboxylic fatty acid. It is functionally related to a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).
N2-Succinyl-L-glutamic acid 5-semialdehyde
N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). [HMDB]
TRIAZIQUONE
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
4-Formamidoantipyrine
A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone. CONFIDENCE standard compound; INTERNAL_ID 2701 CONFIDENCE standard compound; INTERNAL_ID 4113 CONFIDENCE standard compound; EAWAG_UCHEM_ID 1038 CONFIDENCE standard compound; INTERNAL_ID 2006
Isocarboxazid
Isocarboxazid is only found in individuals that have used or taken this drug. It is an MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311). Isocarboxazid works by irreversibly blocking the action of a chemical substance known as monoamine oxidase (MAO) in the nervous system. MAO subtypes A and B are involved in the metabolism of serotonin and catecholamine neurotransmitters such as epinephrine, norepinephrine, and dopamine. Isocarboxazid, as a nonselective MAO inhibitor, binds irreversibly to monoamine oxidase–A (MAO-A) and monoamine oxidase–B (MAO-B). The reduced MAO activity results in an increased concentration of these neurotransmitters in storage sites throughout the central nervous system (CNS) and sympathetic nervous system. This increased availability of one or more monoamines is the basis for the antidepressant activity of MAO inhibitors. N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
4-acetaminophen sulfate
Paracetamol sulfate, also known as paracetamol sulfuric acid or 4-acetaminophen sulfate, is classified as a phenylsulfate. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Paracetamol sulfate is considered a slightly soluble (in water), acidic compound. Paracetamol sulfate is a metabolite of paracetamol, a common drug used for the relief of pain as an antipyretic. After paracetamol is absorbed from the gastrointestinal tract, it forms paracetamol sulfate by conjugation with sulfuric acid. Paracetamol sulfate can be found in both plasma and urine (PMID: 15127815).
Benzeneacetamide-4-O-sulphate
Benzeneacetamide-4-O-sulphate is a conjugate of benzeneacetamide and sulphate.
HPAA sulfate
N-(2-Hydroxyphenyl)acetamide sulfate (HPAA sulfate) is a benzoxazinoid metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 24812068).
(+/-)-(E)-Methyl-2-[(E)-hydroxyimino]-5-nitro-6-methoxy-3-hexeneamide
4-Formylaminoantipyrine
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
Methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one
D020011 - Protective Agents > D000975 - Antioxidants
indole-3-acetyl-glycine
Indole-3-acetyl-glycine is also known as iaa-gly. Indole-3-acetyl-glycine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glycine can be found in a number of food items such as pistachio, red rice, star anise, and redcurrant, which makes indole-3-acetyl-glycine a potential biomarker for the consumption of these food products.
5-hydroxy-5-(1H-indol-3-yl)imidazolidine-2,4-dione
Acetic acid [2-methyl-4-oxoquinolin-1(4H)-yl]methyl ester
bruceolline I
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis.
3-(2-acetyl-1H-pyrrol-1-yl)-5-(prop-2-yn-1-yl)dihydrofuran-2(3H)-one|longanlactone
3-(2-(4-hydroxyphenyl)-2-oxoethyl)-5,6-dihydropyridin-2(1h)-one
(7S)-5,6-dihydro-4-[(1R)-1-hydroxyethyl]-5H-spiro[cyclopenta[c]pyridine-7,2-furan]-5-one|plumericidine
2-Carbamoyl-3-methoxy-1,4-naphthoquinone|Me ether,amide-3-Hydroxy-1,4-naphthoquinone-2-carbxylic acid
2-(2-(Chlorophenyl)amino)benzaldehyde
CONFIDENCE standard compound; INTERNAL_ID 2695 CONFIDENCE standard compound; INTERNAL_ID 8566 CONFIDENCE standard compound; INTERNAL_ID 4090
isocarboxazid
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
2-methoxy-5-methyl-N-phenyl-1H-imidazole-4-carboxamide
6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
N-ETHOXYCARBONYLMETHYL-N’-CYANO-N-PHENYLFORMAMIDINE
(S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID HYDROCHLORIDE
(5Z)-2-AMINO-5-[(4-HYDROXY-3,5-DITERT-BUTYL-PHENYL)METHYLIDENE]-1,3-THIAZOL-4-ONE
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6,7-dimethyl-, hydrochloride (1:1)
3-(2-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-HYDROXYBENZOIC ACID
4-HYDROXY-2-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID
2-Chloro-N-(2-chloroethyl)-N-methyl-2-phenylethanamine
2-chloro-5-nitro-n-hydroxyethyl p-phenylenediamine
4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-PHENYL-, ETHYL ESTER
4-(2-methoxyethoxy)pyridine-2-carboximidamide,hydrochloride
3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid
3-AMINO-3-(2,6-DIFLUORO-3-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2,6-DIFLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2-DIFLUOROMETHOXYPHENYL)-PROPIONIC ACID
3-AMINO-3-(4-DIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride
METHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE
7-(TRIFLUOROMETHYL)-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
7,9-dimethyl-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
hydroxyamphetamine hydrobromide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
5,7-DIMETHYL-2,3-DIHYDRO-1H-[1,4]DIAZEPINEPERCHLORATE
2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]Benzoic acid
2-(chloromethyl)-3-ethylimidazo[4,5-c]pyridine,hydrochloride
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-7-METHYLINDOLINE
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,hydrochloride
2-Aminomethyl-5-phenyl-furan-3-carboxylic acid methyl ester hydrochloride
6-(methylamino)hexane-1,2,3,4,5-pentol,hydrochloride
Ethanone,1-(3,4-dihydroxyphenyl)-2-(dimethylamino)-, hydrochloride (1:1)
Imidodicarbonimidicdiamide, N-(2-fluorophenyl)-, hydrochloride (1:1)
methyl 3-amino-3-(2-chloro-6-fluorophenyl)propanoate
6-AMINO-1-BENZYL-3-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Flumexadol
Flumexadol is a selective and affinity 5-HT2C receptor agonist with a Ki of 25 nM for the (+)-enantiomer of Flumexadol, and is 40-fold selective over the 5-HT2A receptor. Flumexadol is an orally active non-narcotic analgesic[1][2].
(R)-1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-amine
6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
4-(2-THIENYLMETHYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONE
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone
3,4-Dimethoxy-N-methylphenethylamine hydrochloride
6-(3-Furanyl)-2-methylpyridine-3-carboxylic acid ethyl ester
(2S,3S)-3-Amino-2-Hydroxy-4-Phenylbutyric Acid Hydrochloride
4-Chloro-6-(dimethylamino)-3-quinolinecarbonitrile
2-amino-1-(2,5-dimethoxyphenyl)ethanone hydrochloride
5-[4-(1-METHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID
6-CHLORO-4-OXO-3-PHENYL-1(4H)-PYRIDAZINECARBONITRILE
1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBALDEHYDE OXIME
4-ALLYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-(DIMETHYLAMINO)-4-METHOXYBENZOIC ACID HYDROCHLORIDE
3-(Cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
1-CHLORO-5,6,7-TRIMETHYL-6H-PYRROLO[3,4-D]PYRIDAZINE HYDROCHLORIDE
6-AMINO-5-(CHLOROACETYL)-1-ETHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Lorcaserin HCl
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
3-(2,5-DIMETHYL-PYRROL-1-YL)-4-HYDROXY-BENZOIC ACID
N-Ethyl-N-(5-formyl-furan-2-ylmethyl)-methanesulfonamide
BENZYL 4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
(2s,3r)-3-amino-2-hydroxy-4-phenylbutyric acid hydrochloride
3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride(SALTDATA: FREE)
2-AMINO-6-ISOPROPYL-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(2-chloroacetyl)-1,3-dimethyl-
Sulfathiourea
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-CHLORO-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
1-[1-(4-Methoxy-benzyl)-1H-[1,2,3]triazol-4-yl]-ethanone
3-(4-FORMYL-3-THIEN-2-YL-1H-PYRAZOL-1-YL)PROPANENITRILE
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, ethyl ester
1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one
2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid
4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
2-Naphthalenecarboxamide,3-hydroxy-N-(2-hydroxyethyl)-
3-HYDROXYMETHYL-1(2H)-PYRIDINECARBOXYLIC ACID, PHENYL ESTER
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
1-isopropyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Piperidin-4-yl(thiophen-2-yl)methanone hydrochloride
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
BENZENEMETHANAMINE, 2-BROMO-4-FLUORO-N,N-DIMETHYL-
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzoic acid
tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate
Methyl 4-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate hydrochloride
2-(2,4-DIMETHOXYPHENYL)-2-OXOETHANAMINIUM CHLORIDE
3-Quinolinecarboxylicacid, 6-methoxy-, ethyl ester
BENZENEMETHANAMINE, 4-BROMO-2-FLUORO-N,N-DIMETHYL-
2-AMINO-6,7-DIMETHYL-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDINE MONOHYDROCHLORIDE
3-(4-HYDROXY-2-METHYL-QUINOLIN-3-YL)-PROPIONIC ACID
2-[(2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-CHROMEN-7-YL)OXY]ACETONITRILE
2-(3,4-DIMETHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE
Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione
5-(3-METHYL-1H-INDAZOL-5-YL)-1,3,4-THIADIAZOL-2-AMINE
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-6-METHYLINDOLINE
4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
3-AMINO-3-(2-HYDROXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI)
alpha-[1-[(2-Hydroxyethyl)Amino]Ethyl]Benzyl Alcohol Hydrochloride
8-ACETYL-7-METHYL-6H-1,2,5-OXADIAZOLO[3,4-E]INDOL-6-OL
Farampator
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Farampator (CX-691;Org24448) is an AMPA receptor positive modulator.
N(2)-succinyl-L-ornithinate(1-)
A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.
methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
D018977 - Micronutrients > D014815 - Vitamins
4-(L-gamma-glutamylamino)Butanoate
Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.
Nalidixic acid anion
A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3.
2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxylic acid methyl ester
4-Methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]phenol
5-Hydroxyxanthotoxin(1-)
A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(2-chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
(2R)-1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid
2-Amino-3-(2-chloro-3,4-dihydroxyphenyl)propanoic acid
4,5-Dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde
N-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane;hydrochloride
(3E)-5-methyl-3-[(N-methylanilino)methylidene]thiophen-2-one
(1-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-3-yl)oxidanesulfonic acid
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
2-Amino-3-(2-chloro-4,5-dihydroxyphenyl)propanoic acid
2-Amino-3-(3-chloro-4,5-dihydroxyphenyl)propanoic acid
3-amino-7-methoxy-5H-pyrimido[5,4-b]indol-1-ium-4-one
3-Methyl-6-nitro-1,2,3,4-tetrahydro-gamma-carboline
3-Methyl-8-nitro-1,2,3,4-tetrahydro-gamma-carboline
TRIAZIQUONE
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AC - Ethylene imines C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
Paracetamol sulfate
An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group.
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
N-succinyl-L-glutamic 5-semialdehyde
A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.
AGN 192836
AGN 192836 is a potent and selective α2 adrenergic agonist with EC50s of 8.7, 41 and 6.6 nM for α2A, α2B and α2C receptor, respectively.
2-imino-5-[(4-methoxyphenyl)methylidene]-3-methylimidazolidin-4-one
2-carbamoyl-3-methoxy-1,4-naphthoquinone
{"Ingredient_id": "HBIN005443","Ingredient_name": "2-carbamoyl-3-methoxy-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C12H9NO4","Ingredient_Smile": "NA","Ingredient_weight": "231.2","OB_score": "NA","CAS_id": "144258-80-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8674","PubChem_id": "NA","DrugBank_id": "NA"}
