Exact Mass: 218.07430380000002
Exact Mass Matches: 218.07430380000002
Found 500 metabolites which its exact mass value is equals to given mass value 218.07430380000002,
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].
4-Methylumbelliferyl acetate
Isolated from fenugreek (Trigonella foenum-graecum). 4-Methylumbelliferyl acetate is found in herbs and spices, green vegetables, and fenugreek. 4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum).
Baldrinal
Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].
2,7-dihydroxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.
Alanylglutamic acid
C8H14N2O5 (218.09026740000002)
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].
Ala-Glu-OH
C8H14N2O5 (218.09026740000002)
Ala-Glu-OH is an agent of the dipeptide[1][2].
Piperic acid
obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). Piperic acid is found in herbs and spices. Piperic acid is obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others.
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
C8H14N2O5 (218.09026740000002)
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]
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide Root constituent of Diospyros kaki (Japanese persimmon)
Liqcoumarin
Liqcoumarin is found in herbs and spices. Liqcoumarin is isolated from Glycyrrhiza glabra (licorice
Glutamylalanine
C8H14N2O5 (218.09026740000002)
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
C8H14N2O5 (218.09026740000002)
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
C8H14N2O5 (218.09026740000002)
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
C8H14N2O5 (218.09026740000002)
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.
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
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.
Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
2-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-
Metallibure
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
2,3-O-Isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-
6beta,7beta,8alpha,10-tetrahydroxy-cis-2-oxabicyclo[4.3.0]nonan-3-one
7-acetoxy-8-methyl-2H-chromen-2-one|7-acetoxy-8-methyl-chromen-2-one|7-Acetoxy-8-methyl-cumarin
(2E)-3-(5-methoxybenzofuran-6-yl)prop-2-enoic acid|lenceolune C
1,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetonitrile
(5S)-5-(1,8-dihydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|1,8-dihydroxy-3,4-dihydrovernoniyne
(4S,5R)-4-hydroxy-5-(8-hydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4,8-dihydroxy-3,4-dihydrovernoniyne
9--nona-4,6-dien-8-in-3-ol|9-thiophen-2-yl-nona-4,6-dien-8-yn-3-ol
2,8-Decadiene-4,6-diynedioic acid-Di-Me ester|Deca-2,8-dien-4,6-diindisaeure-dimethylester|deca-2,8-diene-4,6-diynedioic acid dimethyl ester|Deca-2t,8t-dien-4,6-diindisaeure-dimethylester|deca-2t,8t-diene-4,6-diynedioic acid dimethyl ester|Decadien-2,8-diin-4,6-disaeure-1,10-dimethylester
heliopine|N2-(1R-carboxyethyl)-L-glutamine|vitopine
C8H14N2O5 (218.09026740000002)
2-Methyl-3-(hydroxymethyl)-5-hydroxy-1,4-naphthoquinone
1,2-O-Isopropylidene,Me ester-alpha-D-Furanose-Riburonic acid
3,4,5-Trihydroxy-6-methoxycyclohexene-1-carboxylic acid methyl ester
4-Methylumbelliferyl acetate
An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
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.
Glu-ala
C8H14N2O5 (218.09026740000002)
A dipeptide formed from L-alpha-glutamyl and L-alanine residues.
Cys-pro
A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage.
Hpro-ser
C8H14N2O5 (218.09026740000002)
Ser-hpro
C8H14N2O5 (218.09026740000002)
N-gamma-L-Glutamyl-D-alanine
C8H14N2O5 (218.09026740000002)
Propanedioic acid,2-(3-phenyl-2-propen-1-ylidene)-
3,3,3-trifluoropropyltrimethoxysilane
C6H13F3O3Si (218.05860239999998)
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
1-Methyl-3-[3-(trifluoromethyl)phenyl]urea
C9H9F3N2O (218.06669399999998)
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
1-amino-2-nitroso-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one,hydrochloride
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)
(1R,2R,4R)-2-BROMO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
2H-1-Benzopyran-5-carboxylicacid,6-methyl-2-oxo-,methylester(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
3-amino-N-methyl-5-(trifluoromethyl)benzamide
C9H9F3N2O (218.06669399999998)
2-amino-2-[4-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
C9H9F3N2O (218.06669399999998)
1,3-Dioxolane-2,2-diaceticacid, 2,2-dimethyl ester
Acifran
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98151 - Niacin-based Antilipidemic Agent
3-(Dimethylamino)-2-(2-fluorobenzoyl)acrylonitrile
3-AMINO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID AMIDE
C9H9F3N2O (218.06669399999998)
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
5-Acetomino-2-amino Benzotrifluoride
C9H9F3N2O (218.06669399999998)
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
5,6-DIHYDRO-9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
1-(2-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
methyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate
4-Amino-2-(trifluoromethyl)acetanilide
C9H9F3N2O (218.06669399999998)
N-((3-METHYLTHIEN-2-YL)METHYL)-N-(PYRIDIN-2-YLMETHYL)AMINE
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
2,3-Dihydro-5-chloro-1H-cyclopenta[b]quinolin-9-amine
ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
3-(2-trimethylsilylethynyl)pyridine-2-carboxamide
C11H14N2OSi (218.08753539999998)
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)
2-amino-N-[3-(trifluoromethyl)phenyl]acetamide
C9H9F3N2O (218.06669399999998)
1-(5-FLUORO-2-PYRIDINYL)-4-OXO-CYCLOHEXANECARBONITRILE
2-(4-fluoronaphthalen-1-yl)propanoic acid
C13H11FO2 (218.07430380000002)
Propanenitrile,3-[1-(2-benzothiazolyl)hydrazino]-(9CI)
Propanedioic acid,2-(acetyloxy)-, 1,3-diethyl ester
N-[(2-chlorophenyl)methyl]pyridin-2-amine,dihydrochloride
2-CYANO-3-(PYRAZIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
4-((Trimethylsilyl)ethynyl)benzoic acid
C12H14O2Si (218.07630240000003)
N-(3-HYDROXYPHENYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
DL-Lysine-1,2-13C2 dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
2-amino-6-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylic acid
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACIDDIMETHYL ESTER
6-amino-2-azanylhexanoic acid,dihydrochloride
C6H16Cl2N2O2 (218.05887760000002)
Thiourea,N-2,3-butadienyl-N-(4-methylphenyl)- (9CI)
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
2-[2-(trifluoromethyl)phenyl]acetohydrazide
C9H9F3N2O (218.06669399999998)
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
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
Methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
5-(4-Methylphenyl)thiophene-2-boronic acid
C11H11BO2S (218.05727760000002)
3-(DIMETHYLAMINO)-2-(3-FLUOROBENZOYL)ACRYLONITRILE
(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
(4-CYCLOPROPYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YL)-HYDRAZINE
1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, hydrazide
1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(phenylmethyl)-
4-[(E)-(3,5-Diamino-1h-Pyrazol-4-Yl)diazenyl]phenol
(2Z,4E)-2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Isochavicinic acid
Piperic acid, also known as piperate, is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Piperic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Piperic acid can be found in herbs and spices and pepper (spice), which makes piperic acid a potential biomarker for the consumption of these food products. Piperic acid is a chemical often obtained by the base-hydrolysis of the alkaloid piperine from black pepper, followed by acidification of the corresponding salt. Piperic acid is an intermediate in the synthesis of other compounds such as piperonal, and as-such may be used to produce fragrances, perfumes flavorants and drugs as well as other useful compounds .
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
Vanay
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.
Glutamylalanine
C8H14N2O5 (218.09026740000002)
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]
O-succinyl-L-homoserinate(1-)
An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.
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.
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
An imidazolidinone that is parabanic acid substituted by a 2-phenylethyl group at position 1.
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
2,2,3-trihydroxydiphenyl ether
Diphenyl ether in which the hydrogens at the 2, 3, and 2 positions are substituted by hydroxy groups.
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
C8H14N2O5 (218.09026740000002)
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
1-(2-amino-3-hydroxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
C8H14N2O5 (218.09026740000002)
(E,E)-Piperic Acid
A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).
gamma-Glu-Ala
C8H14N2O5 (218.09026740000002)
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
C8H14N2O5 (218.09026740000002)
[(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
C8H14N2O5 (218.09026740000002)
3-(hydroxymethyl)-7-(methylamino)isoquinoline-5,8-dione
3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
[(1r,4r,5s)-4,5-dihydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]acetic acid
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate
{"Ingredient_id": "HBIN002060","Ingredient_name": "1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39514","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy juglone
{"Ingredient_id": "HBIN008514","Ingredient_name": "3-ethoxy juglone","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CCOC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40031","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15399877","DrugBank_id": "NA"}
5-acetyl-7-hydroxy-2-methylbenzopyran-γ-one
{"Ingredient_id": "HBIN011363","Ingredient_name": "5-acetyl-7-hydroxy-2-methylbenzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14147","TCMID_id": "423","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"}
(4s)-4-amino-4-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}butanoic acid
C8H14N2O5 (218.09026740000002)
(2e)-3-(5-methoxy-1-benzofuran-6-yl)prop-2-enoic acid
(3s)-3,7-dihydroxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one
3,7-dihydroxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one
(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-5-methylfuran-3-one
5-(2-formyl-3-hydroxyphenyl)penta-2,4-dienoic acid
(3r,4e,6e)-9-(thiophen-2-yl)nona-4,6-dien-8-yn-3-ol
[4,5-dihydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]acetic acid
ethyl 5,6-dihydroxy-6-methyl-4-oxooxane-2-carboxylate
1,10-dimethyl (2e,8e)-deca-2,8-dien-4,6-diynedioate
(3s,4s,5s,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
(2r,3s)-3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
5-hydroxy-3-(hydroxymethyl)-2-methylnaphthalene-1,4-dione
4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
2-[(3s)-2,3-dihydroxy-4-methoxyindol-3-yl]acetonitrile
ethyl (2s,5r,6r)-5,6-dihydroxy-6-methyl-4-oxooxane-2-carboxylate
methyl (3s,4s,5s,6r)-3,4,5-trihydroxy-6-methoxycyclohex-1-ene-1-carboxylate
(1r)-1,8-dihydroxy-1h,2h,3h-cyclopenta[b]chromen-9-one
(2e,4e)-5-(2-formyl-3-hydroxyphenyl)penta-2,4-dienoic acid
(3s,4s,5r,6s)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)
ethyl 5-hydroxy-5-(1-hydroxyethyl)-4-oxooxolane-2-carboxylate
ethyl (2r,5s)-5-hydroxy-5-[(1s)-1-hydroxyethyl]-4-oxooxolane-2-carboxylate
methyl 3,4,5-trihydroxy-6-methoxycyclohex-1-ene-1-carboxylate
(4ar,5s,6s,7r,7ar)-5,6,7-trihydroxy-7-(hydroxymethyl)-hexahydrocyclopenta[c]pyran-3-one
(3s,4r,5s,6r)-4,5-dihydroxy-6-[(1-hydroxyethylidene)amino]piperidine-3-carboxylic acid
C8H14N2O5 (218.09026740000002)