Exact Mass: 163.0633
Exact Mass Matches: 163.0633
Found 500 metabolites which its exact mass value is equals to given mass value 163.0633,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pterin
Pterin is a chemical compound composed of a pyrazine ring and a pyrimidine ring; Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring (a pteridine ring system); the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring.; the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. Pterin belongs to the pteridine family of heterocycles. -- Wikipedia. Pterin is found in soy bean. Pterin is a chemical compound composed of a pyrazine ring and a pyrimidine ring; the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. Pterin belongs to the pteridine family of heterocycles. -- Wikipedia.
Erythro-4-hydroxy-L-glutamate(1-)
4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. The reaction can be described as: 4-Hydroxy-L-glutamate + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827). [HMDB] Erythro-4-hydroxy-L-glutamate(1-) is also known as (2S,4R)-2-ammonio-4-Hydroxypentanedioate. Erythro-4-hydroxy-L-glutamate(1-) is considered to be soluble (in water) and acidic
3-hydroxyglutamic acid
An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 3.
3-Methyldioxyindole
3-Methyldioxyindole is a metabolite of aldehyde dehydrogenase (NAD+) (K00128)(EC 1.2.1.3) formed during 3-methylindole metabolism (PMID: 88251990). It is the major urinary metabolite of 3-methylindole. (PMID: 2519781). It is thought that 3-Methyldioxyindole is an in vivo oxidation product of 3-methylindole which is a metabolic product of tryptophan, produced by bacteria in the colon (PMID: 2796599). 3-Methyldioxyindole is a metabolite of aldehyde dehydrogenase (NAD+) (K00128)(EC 1.2.1.3) formed during 3-methylindole metabolism (PMID: 88251990). It is the major urinary metabolite of 3-methylindole. (PMID: 2519781).
Homomethionine
Homomethionine (CAS: 6094-76-4) belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Homomethionine is possibly neutral. Homomethionine has been detected, but not quantified in, several different foods, such as lima beans, red huckleberries, catjang pea, Chinese chestnuts, and pepper (C. annuum). This could make homomethionine a potential biomarker for the consumption of these foods. Homomethionine is found in brassicas and is isolated from cabbage and horseradish. Isolated from cabbage and horseradish. L-2-Amino-5-(methylthio)pentanoic acid is found in many foods, some of which are pepper (c. frutescens), vanilla, cauliflower, and pineappple sage.
4-Oxo-1-(3-pyridyl)-1-butanone
4-Oxo-1-(3-pyridyl)-1-butanone, also known as gamma-oxo-3-Pyridinebutanal or 3-Succinoylsemialdehyde-pyridine, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R, where R = aryl group and R=alkyl group. 4-Oxo-1-(3-pyridyl)-1-butanone is considered to be soluble (in water) and relatively neutral
4-hydroxyglutamate
4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. The reaction can be described as: 4-Hydroxy-L-glutamate + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827). [HMDB] 4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. Specifically, 4-hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. The reaction can be described as: 4-hydroxy-L-glutamate + 2-oxoglutarate <=> 4-hydroxy-2-oxoglutarate + L-glutamate. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID: 13948827).
1-Isothiocyanato-2-phenylethane
1-Isothiocyanato-2-phenylethane, also known as 2-phenylethyl isothiocyanate (PEITC) or (2-isothiocyanatoethyl) benzene is an isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. It has a role as an antineoplastic agent, a metabolite and an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. PEITC is found in high concentrations in kohlrabis. In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase. PEITC has been used in trials studying the prevention and treatment of leukemia, lung cancer, tobacco use disorder, and lymphoproliferative disorders. Phenethyl isothiocyanate, also known as peitc or beta-phenylethyl isothiocyanic acid, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Phenethyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Phenethyl isothiocyanate is a bitter, gooseberry, and green tasting compound and can be found in a number of food items such as herbs and spices, brassicas, horseradish, and cabbage, which makes phenethyl isothiocyanate a potential biomarker for the consumption of these food products. Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate whose precursor, gluconasturtiin is found in some cruciferous vegetables, especially watercress . C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
Thialdine
(2alpha,4alpha,6alpha)-Thialdine is found in crustaceans. Flavourant with chicken aroma. (2alpha,4alpha,6alpha)-Thialdine is a volatile component of roasted shrimp. Occurs in a variety of foods and flavours and in food pyrolysis products [DFC]
S-Propyl-L-cysteine
S-Propyl-L-cysteine is found in onion-family vegetables. S-Propyl-L-cysteine is occurs as g-glutamyl peptide in garli Occurs as g-glutamyl peptide in garlic. S-Propyl-L-cysteine is found in onion-family vegetables.
4-(3-Pyridyl)-3-butenoic acid
This compound is a reactant in the pathways: nicotine degradation II and nicotine degradation III, where it is converted into 4-(3-pyridyl)-butanoate. This is one of the hypothesized intermediate reactions of nicotine being converted to 3-pyridylacetate. (BioCyc) This compound is likely associated with nicotine accumulation disorders. [HMDB] This compound is a reactant in the pathways: nicotine degradation II and nicotine degradation III, where it is converted into 4-(3-pyridyl)-butanoate. This is one of the hypothesized intermediate reactions of nicotine being converted to 3-pyridylacetate. (BioCyc) This compound is likely associated with nicotine accumulation disorders.
S-(2-carboxypropyl)-Cysteamine
S-(2-carboxypropyl)-Cysteamine enhances the procoagulant activity of factor VIII-East Hartford, a dysfunctional protein due to a light chain thrombin cleavage site mutation (PMID 1569180). S-(2-carboxypropyl)-Cysteamine is known to modify mutant proteins with an arg-to-cys substitution (PMID 1569181). S-(2-carboxypropyl)-Cysteamine enhances the procoagulant activity of factor VIII-East Hartford, a dysfunctional protein due to a light chain thrombin cleavage site mutation (PMID 1569180)
L-N-Carboxymethylserine
L-N-Carboxymethylserine is found in green vegetables. L-N-Carboxymethylserine is isolated from asparagus (Asparagus officinalis) shoot
2-Ethylbenzothiazole
Claimed food uses not well documented. Claimed food uses not well documented
1-(Methoxymethyl)-1H-benzotriazole
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3183
4-Hydroxy-L-glutamic acid
An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 4.
3-hydroxy-5-methyl-5,6-dihydro-7h-cyclopenta[b]pyridin-7-one
L-beta-Homomethionine
A beta-amino acid that is (3R)-3-aminopentanoic acid in which one of the terminal methyl hydrogens has been replaced by a methylsulfanyl group. Acquisition and generation of the data is financially supported in part by CREST/JST.
1-Methoxymethylbenzotriazole
CONFIDENCE Reference Standard (Level 1); Source; 1MeOMeBT_MSMS.txt
Phenethyl isothiocyanate
An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
2-Pyridinecarboxylicacid,4-ethenyl-,methylester(9CI)
3,4-Dihydro-2H-pyrano[2,3-b]pyridine-6-carbaldehyde
2-METHOXY-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE
4-(dimethylamino)-2-oxo-1H-pyridine-3-carbonitrile
3-Pyridinecarbonitrile,1-amino-1,2-dihydro-4,6-dimethyl-2-oxo-
3H-Pyrazolo[3,4-b]pyridin-3-one,1,2-dihydro-4,6-dimethyl-
4-(aminomethyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
2,4,6-Cycloheptatrien-1-one,2-acetyl-7-amino-(9CI)
cis-(6-amino-cyclohex-3-enyl)-methanol hydrochloride
pyridine-3-boronic acid 1,3-propanediol cyclic ester
[(1, 1-Dioxotetrahydro-2H-thiopyran-4-yl)methyl]amine
(5,9-DIHYDRO-6,8-DIOXA-BENZOCYCLOHEPTEN-7-YL-METHYL)-P-TOLYL-AMINE
4,5,6,7-tetrahydro-1-benzothiophene-4-carbonitrile
1H-1,2,3-Triazolo[4,5-c]pyridine-1-carboxamide(9CI)
4,5-DIHYDRO-1H-PYRIDO[3,4-B][1,4]DIAZEPIN-2(3H)-ONE
7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
7,8-dimethyl-9-oxa-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
4-Methyl-6-hydroxy-5-(2-propynyl)-2-pyrimidinamine
4,5-DIHYDRO-1H-PYRIDO[2,3-B][1,4]DIAZEPIN-2(3H)-ONE
Migalastat
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products COVID info from COVID-19 Disease Map C87006 - Pharmacological Chaperone Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
N-Methyl-L-methionine
A methyl-L-methionine having the methyl group attached to the alpha-amino function.
3-Acetylbenzamide
A methyl ketone that is benzamide in which one of the meta hydrogens has been replaced by an acetyl group. It is a bacterial secondary metabolite from actinomycete strain WA23-4-4 isolated from the intestinal tract of Periplaneta americana (American cockroach), it shows significant antifungal activity against Candida albicans ATCC 10231 and Aspergillus niger ATCC 16404 but is less active against Trichophyton rubrum ATCC 60836 and Aspergillus fumigatus ATCC 96918. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
WLN: SCN2R
C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D009676 - Noxae > D002273 - Carcinogens D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors 2-Phenylethyl isothiocyanate is a potent antifungal agent. 2-Phenylethyl isothiocyanate significantly inhibited spore germination and mycelial growth of Alternaria alternata, with a MIC (minimum inhibitory concentration) of 1.22 mM. The antifungal effect of 2-Phenylethyl isothiocyanate against Alternaria alternata might be via reduction in toxin content and breakdown of cell membrane integrity[1][2].
Bio1_000415
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C87006 - Pharmacological Chaperone D004791 - Enzyme Inhibitors 1-Deoxynojirimycin (Duvoglustat) is a potent and orally active α-glucosidase inhibitor. 1-Deoxynojirimycin suppresses postprandial blood glucose and is widely used for diabetes mellitus. 1-Deoxynojirimycin possesses antihyperglycemic, anti-obesity, and antiviral features[1][2]. 1-Deoxynojirimycin (Duvoglustat) is a potent and orally active α-glucosidase inhibitor. 1-Deoxynojirimycin suppresses postprandial blood glucose and is widely used for diabetes mellitus. 1-Deoxynojirimycin possesses antihyperglycemic, anti-obesity, and antiviral features[1][2].
(3S,4S,5S,6R)-4-amino-6-methyltetrahydro-2H-pyran-2,3,5-triol
(2S,3R,4S,5S,6R)-4-amino-6-methyloxane-2,3,5-triol
(2S,4R)-2-amino-5,5-dihydroxy-4-methylpentanoic acid
(2S,3S,4S)-2-amino-4-hydroxy-3-(hydroxymethyl)pentanoic acid
(2S)-2-(methylammonio)-4-(methylsulfanyl)butanoate
N,N-dihydroxy-L-isoleucine
An N,N-dihydroxy amino acid that is derived from L-isoleucine.
O-ureido-L-serine
A serine derivative that is L-serine in which the hydroxyl hydrogen is replaced by a ureido group.
S-Methyl-L-methioninate
A sulfonium betaine that is a conjugate base of S-methyl-L-methionine obtained by the deprotonation of the carboxy group.
O-ureido-D-serine zwitterion
An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the amino group of O-ureido-D-serine.
O-ureido-D-serine
A serine derivative that is D-serine in which the hydroxyl hydrogen is replaced by a ureido group.
DUVOGLUSTAT
An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.
N-methyl-L-methionine zwitterion
Zwitterionic form of N-methyl-L-methionine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
S-ethylhomocysteine
A non-proteinogenic alpha-amino acid that is methionine in which the S-methyl group is replaced by an S-ethyl group.
O-ureido-L-serine zwitterion
An L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-ureido-L-serine.
2-amino-3-[n-hydroxy-(c-hydroxycarbonimidoyl)amino]propanoic acid
1-deoxynojirimycin prime
{"Ingredient_id": "HBIN002488","Ingredient_name": "1-deoxynojirimycin prime","Alias": "NA","Ingredient_formula": "C6H13NO4","Ingredient_Smile": "C1C(C(C(C(N1)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38384","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-amino-6hydroxypteridine
{"Ingredient_id": "HBIN005315","Ingredient_name": "2-amino-6hydroxypteridine","Alias": "2-amino-6-hydroxypteridine","Ingredient_formula": "C6H5N5O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25593;1053","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
