Exact Mass: 179.0394
Exact Mass Matches: 179.0394
Found 500 metabolites which its exact mass value is equals to given mass value 179.0394,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Succinoylpyridine
3-succinoylpyridine is the byproduct of tobacco-specific N-nitrosamines generated by the enzyme cytochrome P 450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation. (PMID: 11368333). This nicotine metabolite is commonly found in the urine of smokers. (PMID: 14581070). 3-succinoylpyridine is the byproduct of tobacco-specific N-nitrosamines generated by the enzyme cytochrome P 450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation. (PMID: 11368333)
Hippurate
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 130 KEIO_ID H065 Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food. Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food.
Isoxanthopterin
Isoxanthopterin is a pteridine normally present in plasma, urine, and other bodily fluids also vary from normal concentrations in some disease states and also have diagnostic value. Pteridines urinary concentrations seem to vary independently from each other and from normal values to yield a pattern of excreted pteridines that is diagnostic for different species, tissues, and tumor types. Intravenous or intramuscular administration of isoxanthopterin inhibits the growth rates of animal tumor models. ; Pteridin derivatives are a family of organic compound with very similar chemical structures which play an important biochemistry role. Pteridines metabolism and its regulation in normal and pathological conditions have not been extensively investigated due to the difficulty of their quantification. A significant decrease of isoxanthopterin has been determined in cancer patients. (PMID 15837549, 9800651); Xanthine dehydrogenase (XDH) is the enzymes responsible for the conversion of xanthine to uric acid. It requires the presence of the molybdenum cofactor for its proper functioning. XDH is reported to have additional functions, i.e., the conversion of pterin to isoxanthopterin, one of the steps the degradation pathway of 5,6,7,8-tetrahydrobiopterin (BH4). Isoxanthopterin is very low in some cases of hereditary xanthinuria (OMIM 278300) and molybdenum cofactor deficiency (OMIM 252150). (PMID: 8812740). Isoxanthopterin is found in soy bean. Isoxanthopterin is a pteridine normally present in plasma, urine, and other bodily fluids also vary from normal concentrations in some disease states and also have diagnostic value. Pteridines urinary concentrations seem to vary independently from each other and from normal values to yield a pattern of excreted pteridines that is diagnostic for different species, tissues, and tumor types. Intravenous or intramuscular administration of isoxanthopterin inhibits the growth rates of animal tumor models. Pteridin derivatives are a family of organic compound with very similar chemical structures which play an important biochemistry role. Pteridines metabolism and its regulation in normal and pathological conditions have not been extensively investigated due to the difficulty of their quantification. A significant decrease of isoxanthopterin has been determined in cancer patients. (PMID 15837549, 9800651). Xanthine dehydrogenase (XDH) is the enzymes responsible for the conversion of xanthine to uric acid. It requires the presence of the molybdenum cofactor for its proper functioning. XDH is reported to have additional functions, i.e., the conversion of pterin to isoxanthopterin, one of the steps the degradation pathway of 5,6,7,8-tetrahydrobiopterin (BH4). Isoxanthopterin is very low in some cases of hereditary xanthinuria (OMIM 278300) and molybdenum cofactor deficiency (OMIM 252150). (PMID: 8812740). COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cyclamic acid
Cyclamic acid is an artificial sweetening agent, usually employed as Na or Ca salt (cyclamate). Use suspended in some countries, including USA, because of possible weak carcinogenic activity (disputed). Cyclamic acid is a permitted in EU at levels of 250-1600 ppm in food products.Cyclamic acid is a compound with formula C6H11NHSO2OH D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2813
S-Carboxymethyl-L-cysteine
S-carboxymethylcysteine (carbocisteine) is the most frequently prescribed mucoactive agent for long-term COPD (chronic obstructive pulmonary disease) use in a number of countries. In addition to its mucoregulatory activity, carbocisteine exhibits free-radical scavenging and anti-inflammatory properties. S-Carboxymethyl-L-cysteine can be found in root vegetables and has been isolated from radish seedlings. S-carboxymethyl-L-cysteine can be detectable in urine especially after the processing of chlorinated compounds by gut microlfora. R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics Acquisition and generation of the data is financially supported in part by CREST/JST. C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents KEIO_ID A059
2-aminobenzoylacetic acid
A 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group.
(2S)-2-(hydroxyamino)-5-methylsulfanylpentanoic acid
Hippuric acid
Hippuric acid (Gr. hippos, horse, ouron, urine) is a carboxylic acid found in the urine of horses and other herbivores. Hippuric acid crystallizes in rhombic prisms which are readily soluble in hot water, melt at 187 °C and decompose at about 240 °C. High concentrations of hippuric acid can also indicate a toluene intoxication. When many aromatic compounds such as benzoic acid and toluene are taken internally, they are converted to hippuric acid by reaction with the amino acid, glycine.; Hippuric acid is an acyl glycine formed by the conjugation of benzoic aicd with glycine. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Hippuric acid is a normal component of urine and is typically increased with increased consumption of phenolic compounds (tea, wine, fruit juices). These phenols are converted to benzoic acid which is then converted to hippuric acid and excreted in the urine. Hippuric acid is the most frequently used biomarker in the biological monitoring of occupational exposure to toluene. This product of solvent biotransformation may be also found in the urine of individuals who have not been exposed to the solvent. A smaller fraction of the absorbed toluene is oxidized to aromatic compounds including ortho-cresol, which is not found significantly in the urine of nonexposed individuals. The concentration of hippuric acid in the urine of individuals exposed to a low toluene concentration does not differ from that of individuals not exposed to the solvent. This has led to the conclusion that hippuric acid should not be utilized in the biological monitoring of occupational exposure to low levels of toluene in the air.; Protein-bound organic acids such as hippuric acid are markedly accumulated in uremic plasma and produce defective protein binding of drugs. (PMID: 9120876, 8734460). Hippuric acid is an acyl glycine formed from the conjugation of benzoic acid with glycine. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine < -- > CoA + N-acylglycine. Hippuric acid is a normal component of urine and is typically increased with increased consumption of phenolic compounds (tea, wine, fruit juices). These phenols are converted into benzoic acid which is then converted into hippuric acid and excreted in the urine. Hippuric acid is the most frequently used biomarker in the biological monitoring of occupational exposure to toluene. This product of solvent biotransformation may be also found in the urine of individuals who have not been exposed to the solvent. A smaller fraction of the absorbed toluene is oxidized into aromatic compounds including ortho-cresol, which is not found in the urine of nonexposed individuals in a significant amount. The concentration of hippuric acid in the urine of individuals exposed to a low toluene concentration does not differ from that of individuals not exposed to the solvent. This has led to the conclusion that hippuric acid should not be utilized in the biological monitoring of occupational exposure to low levels of toluene in the air. Protein-bound organic acids such as hippuric acid are markedly accumulated in uremic plasma and produce defective protein binding of drugs (PMID: 9120876 , 8734460). Hippuric acid has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Hippuric acid is also found to be associated with phenylketonuria, propionic acidemia, and tyrosinemia I, which are inborn errors of metabolism. Hippuric acid is an endogenous phenolic acid metabolite detected after the consumption of whole grain. C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food. Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food.
1-(Isothiocyanatomethyl)-4-methoxybenzene
1-(Isothiocyanatomethyl)-4-methoxybenzene is found in green vegetables. 1-(Isothiocyanatomethyl)-4-methoxybenzene is a constituent of Tropaeolum tuberosum (anu)
(R)C(R)S-S-Propylcysteine sulfoxide
(R)C(S)S-S-Propylcysteine sulfoxide is found in onion-family vegetables. (R)C(S)S-S-Propylcysteine sulfoxide is a constituent of onions (Allium cepa) and other Allium species Occurs free in onion bulbs (Allium cepa). (R)C(R)S-S-Propylcysteine sulfoxide is found in garden onion and onion-family vegetables.
Methyl n-formylanthranilate
Methyl n-formylanthranilate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Adrenochrome
Adrenochrome (CAS: 54-06-8) belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Adrenochrome is a red-coloured oxidation product of adrenaline (epinephrine) that was first isolated and identified by Green and Richter in 1937 (PMID: 16746378). It is highly soluble in water. Adrenochrome can be synthesized from adrenalin via oxidation with silver oxide (PMID: 4581204). Adrenochrome is a compound produced by the oxidation of adrenaline (epinephrine). The derivative carbazochrome is a hemostatic medication. [Wikipedia]
2-Amino-3,4-dihydroxypentanedioic acid
2-Amino-3,4-dihydroxypentanedioic acid is found in brassicas. 2-Amino-3,4-dihydroxypentanedioic acid is isolated from Lepidium sativum (garden cress) and Rheum rhaponticum (rhubarb D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
1-(4-Methoxyphenyl)-2-nitroethylene
1-(4-Methoxyphenyl)-2-nitroethylene is used for the control of rice blast diseas
Methyl-N,N-diethylthiocarbamate
Methyl-N,N-diethylthiocarbamate belongs to the class of organic compounds known as organic thiocarbonic acid derivatives. These are organic compounds containing the thiocarbonic acid structure or a derivative thereof.
4-Acetamidobenzoic acid
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S-Propylcysteine sulphoxide
S-propylcysteine sulphoxide, also known as pcso, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. S-propylcysteine sulphoxide is soluble (in water) and a moderately acidic compound (based on its pKa). S-propylcysteine sulphoxide can be found in soft-necked garlic, which makes S-propylcysteine sulphoxide a potential biomarker for the consumption of this food product.
6,7-dihydro-4-hydroxy-3-methoxy-5H-cyclopenta[b]pyridin-5-one|torricelline
Hippuric acid
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent An N-acylglycine in which the acyl group is specified as benzoyl. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QIAFMBKCNZACKA-UHFFFAOYSA-N_STSL_0191_Hippuric acid_2000fmol_180831_S2_L02M02_62; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.317 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.318 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.315 Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food. Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food.
carbofuran
D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054
Hippurate
Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food. Hippuric Acid (2-Benzamidoacetic acid), an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food.
4,6-dihydroxy-3-methyl-2,3-dihydroisoindol-1-one
Carbocysteine
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CB - Mucolytics C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants D000890 - Anti-Infective Agents
Isoxanthopterin
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s-carboxymethyl-l-cysteine
An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.
3,4-Dihydroxyglutamic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
2-sulfanylidene-1h,2h,3h,4h-pyrido[3,4-d]pyrimidin-4-one
4-ETHYLAMINO-1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-OL
7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
METHYL 4-OXO-1,4,5,6-TETRAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLATE
Kevetrin (hydrochloride)
Kevetrin hydrochloride is a potent activator of p53, induces apoptosis in TP53 wild-type and mutant acute myeloid leukemia cells. Kevetrin a preferential cytotoxic activity against blast cells[1][2].
Salacetamide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1-ALLYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
5-Oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
Pyrido[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-1-hydroxy- (9CI)
methyl 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
7-HYDROXY-1H-BENZO[D][1,2,3]TRIAZOLE-5-CARBOXYLIC ACID
3-oxo-1,3-dihydro-benzo[c]isoxazole-4-carboxylic acid
7-methyl-2,3-dihydrothiopyrano[2,3-b]pyridin-4-one
S-Propylcysteine sulfoxide
(r)c(r)s-s-propylcysteine sulfoxide is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon) (r)c(r)s-s-propylcysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). (r)c(r)s-s-propylcysteine sulfoxide can be found in garden onion and onion-family vegetables, which makes (r)c(r)s-s-propylcysteine sulfoxide a potential biomarker for the consumption of these food products.
6-OXO-6,7-DIHYDRO-5H-PYRIDAZINO[3,4-B][1,4]OXAZINE-3-CARBALDEHYDE
Pyrido[2,3-b]pyrazine-2,3-dione, 1,4-dihydro-, 5-oxide (9CI)
Pyrido[2,3-b]pyrazine-2,3,6(4H)-trione, 1,5-dihydro- (9CI)
Thieno[3,2-c]pyridine-2-methanamine, 4-amino- (9CI)
6-Nitro-1,3-benzoxazol-2-amine, 2-Amino-6-nitrobenzo[d]oxazole
5-METHYL-4-(METHYLTHIO)PYRROLO[1,2-F][1,2,4]TRIAZINE
4-THIOXO-3,4-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE
2-THIOXO-2,3-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
2,3-Dihydro-3-oxo-1,2,4-triazolo[4,3-a]pyridine-8-carboxylic acid
2-(5-Hydroxymethyl-2-formypyrrol-1-yl)propionic acid lactone
4-Amino-2,3-dihydro-1-benzofuran-7-carboxylic acid
2-Oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylic acid
4-AMINOTETRAHYDROTHIOPHENE-3-CARBOXYLIC ACID 1,1-DIOXIDE
2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
(2-Oxo-2,3-dihydrobenzo[d]oxazol-6-yl)boronic acid
Mannostatin A
An amino cyclitol that is cyclopentane substituted by hydroxy groups at positions 1, 2 and 3, by an amino group at positon 4, and by a methylsulfanediyl group at position 5 (the 1R,2R,3R,4S,5R-stereoisomer). It is isolated from the soil bacterium Streptoverticillium verticillium.
(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione
3-(4-Hydroxyphenyl)pyruvate
A 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2,3-Dihydroxy-trans-cinnamate
Conjugate base of 2,3-dihydroxy-trans-cinnamic acid.
3-Methylthioaspartic acid
A sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a methylthio group.
3-Phenyl-5-thioxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
Cyclamic acid
A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
4-Acetamidobenzoic acid
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2-Amino-3,4-dihydroxypentanedioic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
3-Hydroxyphenylpyruvate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylpyruvic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
({5-[(1e)-2-carboxyeth-1-en-1-yl]-6-oxabicyclo[3.1.0]hex-2-en-3-yl}amino)methylidene
alpha-d-glucopyranoside
{"Ingredient_id": "HBIN015490","Ingredient_name": "alpha-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C6H11O6-","Ingredient_Smile": "C(C1C(C(C(C(O1)[O-])O)O)O)O","Ingredient_weight": "179.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21501","PubChem_id": "101719625","DrugBank_id": "NA"}
