Exact Mass: 218.0867
Exact Mass Matches: 218.0867
Found 500 metabolites which its exact mass value is equals to given mass value 218.0867,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Hydroxypyrene
1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-hydroxypyrene is an accepted biomarker of carcinogenic Polycyclic aromatic hydrocarbons (PAH) dose(PMID: 15159317). PAH are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers. (PMID: 15247141) [HMDB] 1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-Hydroxypyrene is an accepted biomarker of carcinogenic polycyclic aromatic hydrocarbons (PAHs) dose (PMID: 15159317). PAHs are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers (PMID: 15247141). CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5366; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5365; ORIGINAL_PRECURSOR_SCAN_NO 5363 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5373; ORIGINAL_PRECURSOR_SCAN_NO 5371 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5353; ORIGINAL_PRECURSOR_SCAN_NO 5351 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5367; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5334; ORIGINAL_PRECURSOR_SCAN_NO 5333 CONFIDENCE standard compound; INTERNAL_ID 44 D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
Alanylglutamic acid
Alanylglutamic acid is a dipeptide composed of alanine 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. Ala-Glu-OH is an agent of the dipeptide[1][2].
Triacetin
Triacetin is found in fruits. Triacetin is a flavouring agent, adjuvant; formulation aid, humectant, solvent and vehicle. Triacetin is present in papaya (Carica papaya Triacetin is a flavouring agent, and an adjuvant. It is found in papaya (Carica papaya) and fruits. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.
gamma-Glutamylalanine
gamma-Glutamylalanine is a dipeptide composed of gamma-glutamate and alanine, 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-Glutamylalanine is a natural substrate of the enzyme (5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves gamma-glutamylalanine to produce L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-amino acids and gamma-glutamyl-gamma-glutamyl-amino acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl-amino acids (PMID: 2570694, 2893631). 5-L-Glutamyl-L-alanine is a natural substrate of the enzyme 5-L-glutamyl)-L-amino acid 5-glutamyltransferase (cyclizing) (g-glutamylcyclotransferase, EC 2.3.2.2) in the glutathione metabolism pathway, which cleaves 5-L-Glutamyl-L-alanine, producing L-5-oxoproline. gamma-Glutamylcyclotransferase is widely distributed in both human and animal tissues where it catalyzes the scission of the y-peptide bonds of many different gamma-glutamyl-aminoacids and gamma-glutamyl-gamma-glutamyl-amino-acids. The latter are better substrates of the enzyme than the corresponding gamma-glutamyl - amino-acids. (PMID: 2570694, 2893631) [HMDB]
(R)-Bitalin A
(R)-Bitalin A is found in herbs and spices. (R)-Bitalin A is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). (R)-Bitalin A is found in tea and herbs and spices.
Glutamylalanine
Glutamylalanine is a naturally occurring dipeptide, composed of glutamate and alanine. Glutamylalanine is essential in the supply of glutamate to human erythrocytes. Human erythrocytes are essentially impermeable to glutamate and yet there is a continual requirement for the amino acid for glutathione synthesis. In addition, the intracellular glutamate concentration is approximately five times that of plasma. Glutamylalanine enters the human erythrocyte through saturable membrane-transport systems describable by Michaelis-Menten kinetics. The cytosolic red cell peptidases have a vast capacity to hydrolyse the dipeptide in a process also describable by simple Michaelis-Menten kinetics. The transport process is the rate-determining step in the pathway leading to the production of intracellular glutamate from extracellular glutamylalanine. Glutamylalanine is transported by the human oligopeptide transporter, hPepT1, situated in the small intestine, which is involved in the absorption of nutrient oligopeptides and transports numerous di- and tripeptides. This active transport is being tested for use as a strategy to increase the permeability across the intestine for larger biologically active molecules with low intestinal permeability, in a therapeutic attempt to transport dipeptide-coupled active drug substances via hPepT1 (PMID: 2860897, 11557350).
Cysteinyl-Proline
Cysteinyl-Proline is a dipeptide composed of cysteine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Serine
Hydroxyprolyl-Serine is a dipeptide composed of hydroxyproline 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Prolyl-Cysteine
Prolyl-Cysteine is a dipeptide composed of proline and cysteine. 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.
Serylhydroxyproline
Serylhydroxyproline is a dipeptide composed of serine and hydroxyproline. 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.
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim
N-gamma-L-Glutamyl-D-alanine
N-gamma-L-Glutamyl-D-alanine is found in pulses. N-gamma-L-Glutamyl-D-alanine is isolated from young pea shoots Pisum sativu Isolated from young pea shoots Pisum sativum. N-gamma-L-Glutamyl-D-alanine is found in pulses and common pea.
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate
S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is found in fruits. S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is isolated from yellow passion fruit (Passiflora edulis). S-[1-[2-(Acetyloxy)ethyl]butyl] ethanethioate is a flavouring ingredient. Isolated from yellow passion fruit (Passiflora edulis). Flavouring ingredient. 3-Acetylmercaptohexyl acetate is found in fruits.
4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione
3,7-Dimethyl-1-propargylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists
9-Anthryldiazomethane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
(S,E)-2-(5-Hydroxy-8,9-dihydro-5H-benzo[7]annulen-6(7H)-ylidene)acetic acid
Vasicinolone
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)- is a natural product found in Justicia adhatoda with data available.
2-(1-Methylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran
Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
1-(6-hydroxy-2-isopropyl-benzofuran-5-yl)-ethanone|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|5-Acetyl-6-hydroxy-2-isopropylbenzofuran|dihydroeuparin|Isohydroxytremeton
2,3-O-Isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
2-penta-1,3-dienyl-2,3-dihydro-1-benzofuran-5,7-diol
4-Hydroxy-3-(3-methyl-4-oxo-2(E)-butenyl)acetophenon|4-Hydroxy-3-<3-methyl-4-oxo-2(E)-butenyl>acetophenon|Artemispermal
6beta,7beta,8alpha,10-tetrahydroxy-cis-2-oxabicyclo[4.3.0]nonan-3-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetonitrile
methyl 2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylate
2-propenyl-5-acetyl-7-hydroxy-2,3-dihydrobenzofuran
9--nona-4,6-dien-8-in-3-ol|9-thiophen-2-yl-nona-4,6-dien-8-yn-3-ol
heliopine|N2-(1R-carboxyethyl)-L-glutamine|vitopine
5-(1-Hydroxyethyl)-2-(1-methylethylidene)-3(2H)-benzofuranone
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
4-Acetyl-2,3-dihydro-5-hydroxy-2-isopropenylbenzofuran
1,2-O-Isopropylidene,Me ester-alpha-D-Furanose-Riburonic acid
1-[2-(1-Methyl-2-hydroxyethyl)benzofuran-5-yl]ethanone
5-Acetyl-2,3-dihydro-7-hydroxy-2-isopropenylbenzofuran
3,4,5-Trihydroxy-6-methoxycyclohexene-1-carboxylic acid methyl ester
2,2-DIMETHYL-6-ACETYL CHROMANONE
6-Acetyl-2,2-dimethylchroman-4-one is a natural product found in Tussilago farfara, Madia sativa, and other organisms with data available.
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol
triacetin
A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 4 Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.
(2R)-2-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1-benzofuran-5,7-diol_major
Cys-pro
A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage.
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
3-(3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
3-(3-METHYL-5-OXO-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZOIC ACID
ethyl 2-oxo-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
ethyl 2-oxo-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetate
ETHYL 1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLATE
Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-, methyl ester
(4S,5S)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
TERT-BUTYL (1-CYANO-2,2-DIFLUOROCYCLOPROPYL)CARBAMATE
1H-Imidazole,1-ethyl-2-[2-(3-methyl-2-thienyl)ethenyl]-(9CI)
Urea, (3,4-dihydro-7-methyl-3-oxo-2-quinoxalinyl)- (9CI)
C-[2-(3,5-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHYLAMINE
4-hydroxy-[1,6]naphthyridine-3-carboxylic acid ethyl ester
2-Oxo-6-phenyl-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
6-OXO-1-PHENYL-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
Ethyl 1-formylimidazo[1,5-a]pyridine-3-carboxylate
1,3-Dioxolane-2,2-diaceticacid, 2,2-dimethyl ester
3-(Dimethylamino)-2-(2-fluorobenzoyl)acrylonitrile
N-METHYL-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)BENZYL]AMINE
N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
1,2,3,4-tetrahydro-2-methyl-1-oxo-, methyl ester 2-Naphthalenecarboxylic acid
2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
5-(3-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
3-(DIMETHYLAMINO)-2-(4-FLUOROBENZOYL)ACRYLONITRILE
METHYL 2-CYANO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
1-(2-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
methyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate
N-((3-METHYLTHIEN-2-YL)METHYL)-N-(PYRIDIN-2-YLMETHYL)AMINE
2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-4-oxo-, ethyl ester
Benzeneacetic acid, 4-(5-methyl-1H-tetrazol-1-yl)- (9CI)
1-ALLYL-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
3-Ethyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
8-Methyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
N-(4-fluorophenyl)-1-methylimidazole-4-carboximidamide
1-(5-FLUORO-2-PYRIDINYL)-4-OXO-CYCLOHEXANECARBONITRILE
3-methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
Propanedioic acid,2-(acetyloxy)-, 1,3-diethyl ester
2-CYANO-3-(PYRAZIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
N-(3-HYDROXYPHENYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylic acid
1-(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACIDDIMETHYL ESTER
Thiourea,N-2,3-butadienyl-N-(4-methylphenyl)- (9CI)
Ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
2,3,4,5-TETRA-2-(PHENYLMETHYL)-3-PYRIDAZINE CARBOXYLIC ACID
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-1-(2-HYDROXYETHYL)-3-(1-METHYLETHENYL)-
methyl 2-oxo-5,6-trimethylene-3-cyano-1,2-dihydropyridine-4-carboxylate
1-methoxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
3-(4-methoxy-phenyl)-1h-pyrazole-4-carboxylic acid
7-methoxy-4-oxo-1,4-dihydro-6-quinolinecarboxamide
1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-acetic acid
Methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
5-amino-3-methyl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
(E)-N-Hydroxy-2,2-dimethyl-2H-chromene-6-carboxamidine
Methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
1-Methyl-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxyli c acid
N-Boc-3-aminobenzonitrile tert-Butyl 3-cyanophenylcarbamate
3-(DIMETHYLAMINO)-2-(3-FLUOROBENZOYL)ACRYLONITRILE
(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
3-(5,6-DIMETHYL-1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID
(4-CYCLOPROPYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YL)-HYDRAZINE
3-AMINO-2-(1H-INDOL-3-YL)-PROPIONIC ACID METHYL ESTER
1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, hydrazide
1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(phenylmethyl)-
Methyl 3-((2,2-dimethylbutanoyl)thio)propanoate
4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione
4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
1-(3-Aminophenyl)-4-triazolecarboxylic acid methyl ester
3,7-Dihydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
3-Carboxymethyl-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4-(4-Fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine
Rogletimide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Glutamylalanine
Glutamylalanine is a naturally occurring dipeptide. Glutamylalanine is essential in the supply of glutamate to human erythrocytes. Human erythrocytes are essentially impermeable to glutamate and yet there is a continual requirement for the amino acid for glutathione synthesis. In addition, the intracellular glutamate concentration is approximately five times that of plasma. Glutamylalanine enters the human erythrocyte through saturable membrane-transport systems describable by Michaelis- Menten kinetics. The cytosolic red cell peptidases have a vast capacity to hydrolyse the dipeptide in a process also describable by simple Michaelis-Menten kinetics. The transport process is the rate-determining step in the pathway leading to the production of intracellular glutamate from extracellular glutamylalanine. Glutamylalanine is transported by the human oligopeptide transporter, hPepT1, situated in the small intestine, which is involved in the absorption of nutrient oligopeptides and transports numerous di- and tripeptides. This active transport is being tested for use as a strategy to increase the permeability across the intestine for larger biologically active molecules with low intestinal permeability, in a therapeutic attempt to transport dipeptide-coupled active drug substances via hPepT1. (PMID: 2860897, 11557350) [HMDB]
(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate
(2S)-2-azaniumyl-3-(2-methyl-1H-indol-3-yl)propanoate
Indolmycenate
A (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2S)-2-azaniumyl-3-(1H-indol-3-yl)-2-methylpropanoate
(2S)-2-azaniumyl-3-(7-methyl-1H-indol-3-yl)propanoate
2-(Methylcarbamoylamino)-2-[methyl(methylcarbamoyl)amino]acetic acid
(2Z)-2-(5-hydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)acetic acid
(3-Carboxy-2-oxaldehydoyloxypropyl)-trimethylazanium
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
An imidazolidinone that is parabanic acid substituted by a 2-phenylethyl group at position 1.
3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoate
Ethyl 2-(3-phenyl-2-propen-1-ylidene)hydrazinecarboxylate
5-methyl-N-(1H-pyrrol-2-ylmethylene)-3-isoxazolecarbohydrazide
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine
5-Methyl-1-phenyl-6,8-dioxabicyclo[3.2.1]octan-3-one
(R)-pantothenate
A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.
1-HYDROXYPYRENE
D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
pantothenate
A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group.
1-(2-amino-3-hydroxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
2-methyl-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 2-methyl-L-tryptophan; major species at pH 7.3.
N(alpha)-methyl-L-tryptophan zwitterion
An N-methyl-L-alpha-amino acid zwitterion derived from N(alpha)-methyl-L-tryptophan.
gamma-Glu-Ala
A gamma-glutamylalanine obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of L-alanine.
AR-R17779 (hydrochloride)
AR-R17779 hydrochloride is a potent and selective full agonist of nAChR, with Kis of 92 and 16000 nM for α7 and α4β2 subtype, respectively. AR-R17779 hydrochloride can improve learning and memory in rats. AR-R17779 hydrochloride also has anxiolytic activity. AR-R17779 hydrochloride can reduce inflammation by activating antiinflammatory cholinergic (vagal) pathways[1][2][4].
(2s)-2-amino-4-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
[(3s,4s,5s,6s)-3,4,5,6-tetrahydroxycyclohex-1-en-1-yl]methyl acetate
(3s,4s,5r,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
3-(hydroxymethyl)-7-(methylamino)isoquinoline-5,8-dione
(2s)-2-amino-5-{[hydroxy(c-hydroxycarbonimidoylamino)methylidene]amino}pentanoic acid
1-(6-hydroxy-2-isopropyl-1-benzofuran-5-yl)ethanone
(3ar,8ar)-1h,2h,3h,8h,8ah-pyrrolo[2,3-b]indol-3a-yl acetate
5-(1-hydroxyethyl)-2-(propan-2-ylidene)-1-benzofuran-3-one
5-(3,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-one
[(1r,4r,5s)-4,5-dihydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]acetic acid
1-[(2r,3s)-3-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester
{"Ingredient_id": "HBIN003981","Ingredient_name": "(±)-2,3-dihydro-2-(1-methylethenyl)-5-benzofurancarboxylicacid methyl ester","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol
{"Ingredient_id": "HBIN005763","Ingredient_name": "2-hydroxy-5-methoxy-6-(3-methylbut-3-en-1-ynyl)benzylalcohol","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C#CC1=C(C=CC(=C1CO)OC)O","Ingredient_weight": "218.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10513000","DrugBank_id": "NA"}
6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran
{"Ingredient_id": "HBIN012164","Ingredient_name": "6-acetyl-5-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran","Alias": "NA","Ingredient_formula": "C13H14O3","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=C(C(=C2)O)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy eucommicacid
{"Ingredient_id": "HBIN013279","Ingredient_name": "7-hydroxy eucommicacid","Alias": "NA","Ingredient_formula": "C9H14O6","Ingredient_Smile": "C(C1C(C(C(=C1CO)CO)O)O)C(=O)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10932892","DrugBank_id": "NA"}
