Exact Mass: 163.0553046
Exact Mass Matches: 163.0553046
Found 500 metabolites which its exact mass value is equals to given mass value 163.0553046,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ethionine
An S-ethylhomocysteine that has S-configuration at the chiral centre. D009676 - Noxae > D000963 - Antimetabolites Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID E056
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
7-Nitroindazole
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents D004791 - Enzyme Inhibitors
2-oxo-3-phenylpropanoate
2-oxo-3-phenylpropanoate, also known as 3-phenylpyruvate or 3-(4-hydroxyphenyl)pyruvate, belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 2-oxo-3-phenylpropanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-oxo-3-phenylpropanoate can be found in a number of food items such as saskatoon berry, deerberry, green zucchini, and breadnut tree seed, which makes 2-oxo-3-phenylpropanoate a potential biomarker for the consumption of these food products.
coumarinate
Coumarinate, also known as 3-(2-hydroxyphenyl)acrylate or coumarinic acid, is a member of the class of compounds known as coumaric acids. Coumaric acids are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Coumarinate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Coumarinate can be found in a number of food items such as cardoon, sorrel, pigeon pea, and swede, which makes coumarinate a potential biomarker for the consumption of these food products.
Benzotriazole-5-carboxylic acid
CONFIDENCE Reference Standard (Level 1); Source; 5COOHBT_MSMS.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3184
7-nitroindazole
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents D004791 - Enzyme Inhibitors
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
guvacine
Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3). Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3). Guvacine hydrochloride is an alkaloid from the nut of Areca catechu, acts as an inhibitor of GABA transporter, and dispalys modest selectivity for cloned GABA transporters with IC50s of 14 μM (human GAT-1), 39 μM (rat GAT-1), 58 μM (rat GAT-2), 119 μM (human GAT-3), 378 μM (rat GAT-3), and 1870 μM (human BGT-3).
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.
1H-Benzotriazole-4-carboxylic acid (Tentative)
CONFIDENCE Tentative identification: most likely structure (Level 3); Source; 164m0445a_MSMS.txt; Structure/data is 1H-Benzotriazole-4-carboxylic acid; other isomers possible (but less likely)
6-Nitrobenzimidazole
CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2507; ORIGINAL_PRECURSOR_SCAN_NO 2504 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2506; ORIGINAL_PRECURSOR_SCAN_NO 2503 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2489; ORIGINAL_PRECURSOR_SCAN_NO 2487 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2500; ORIGINAL_PRECURSOR_SCAN_NO 2498 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2513; ORIGINAL_PRECURSOR_SCAN_NO 2511 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2508; ORIGINAL_PRECURSOR_SCAN_NO 2506 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5257; ORIGINAL_PRECURSOR_SCAN_NO 5254 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5265; ORIGINAL_PRECURSOR_SCAN_NO 5264 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5279; ORIGINAL_PRECURSOR_SCAN_NO 5277 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5306; ORIGINAL_PRECURSOR_SCAN_NO 5304 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5306; ORIGINAL_PRECURSOR_SCAN_NO 5301 CONFIDENCE standard compound; INTERNAL_ID 922; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5299; ORIGINAL_PRECURSOR_SCAN_NO 5298
2-Chloro-N,N-dimethyl-3-oxobutanamide
CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4363; ORIGINAL_PRECURSOR_SCAN_NO 4359 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4374; ORIGINAL_PRECURSOR_SCAN_NO 4371 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4392; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4410; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 966; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4401; ORIGINAL_PRECURSOR_SCAN_NO 4398
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-(Pyridin-3-Yl)-4,5-Dihydro-1,2,4-Oxadiazol-5-One
3,4-Dihydro-2H-pyrano[2,3-b]pyridine-6-carbaldehyde
2-AZABICYCLO[3.1.0]HEXANE-1-CARBOXYLIC ACID HYDROCHLORIDE
2-METHOXY-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-5-ONE
2,4,6-Cycloheptatrien-1-one,2-acetyl-7-amino-(9CI)
[(1, 1-Dioxotetrahydro-2H-thiopyran-4-yl)methyl]amine
1H,3H-Pyrazolo[4,3:5,6]pyrano[4,3-c]isoxazole(9CI)
potassium 5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate
4,5,6,7-tetrahydro-1-benzothiophene-4-carbonitrile
cis-2- Amino-3-cyclopentene-1-carboxylic acid hydrochloride
7-OXO-2,3-DIHYDRO-7H-[1,3]OXAZOLO[3,2-A]PYRIMIDINE-6-CARBONITRILE
(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid hydrochloride
1H-1,2,3-Triazolo[4,5-c]pyridine-1-carboxamide(9CI)
Isoguvacine hydrochloride
Isoguvacine hydrochloride is a GABA receptor agonist.
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].
2-Oxo-3-phenylpropanoate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-coumarate
A coumarate that is the conjugate base of 4-coumaric acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
cis-4-Coumarate
A hydroxy monocarboxylic acid anion that is the conjugate base of cis-4-coumaric acid; major species at pH 7.3.
Vitamin U
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D018977 - Micronutrients > D014815 - Vitamins
(2S)-2-(methylammonio)-4-(methylsulfanyl)butanoate
O-ureido-L-serine
A serine derivative that is L-serine in which the hydroxyl hydrogen is replaced by a ureido group.
Keto-phenylpyruvate
A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid.
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.
trans-3-Coumarate
A 3-coumarate that is the conjugate base of trans-3-coumaric acid.
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.
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.
γ-Acetylenic GABA (hydrochloride)
γ-Acetylenic GABA (GAG) hydrochloride is an irreversible inhibitor of GABA-transaminase. γ-Acetylenic GABA hydrochloride can increase the concentration of GABA in rat brain[1][2][3]. γ-Acetylenic GABA (hydrochloride) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
2-amino-3-[n-hydroxy-(c-hydroxycarbonimidoyl)amino]propanoic acid
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"}