Exact Mass: 172.0402
Exact Mass Matches: 172.0402
Found 263 metabolites which its exact mass value is equals to given mass value 172.0402,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sulfanilamide
Sulfanilamide is only found in individuals that have used or taken this drug. It is a molecule containing the sulfonamide functional group attached to an aniline. [Wikipedia]Sulfanilamide is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. This enzyme normally uses para-aminobenzoic acid (PABA) for synthesizing the necessary folic acid. The inhibited reaction is normally necessary in these organisms for the synthesis of folic acid. Without it, bacteria cannot replicate. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1022 KEIO_ID S016
Hydantoin-5-propionic acid
Hydantoin-5-propionic acid is a metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095). Folic acid non-dependent excessive formiminoglutamic aciduria (Figlu-uria) is an extremely rare disorder; treatment with oral folate supplements (15 mg/day) for 3 weeks failed to reduce urinary hydantoin-5-propionic acid (PMID: 8487495). A metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095) 5-Hydantoinpropionic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5624-26-0 (retrieved 2024-07-01) (CAS RN: 5624-26-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
2-Hydroxyhepta-2,4-dienedioate
A dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4E-geoisomer).
2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
A dihydroxy monocarboxylic acid that is 2,4-dihydroxy-2,4-hexadienoic acid bearing additional methyl and oxo substituents at positions 5 and 6 respectively.
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses. L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is a amino acid from the roots of pea seedlings (Pisum species Amino acid from the roots of pea seedlings (Pisum subspecies). L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses.
3-dehydroshikimate
3-dehydro-shikimate is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. 3-dehydro-shikimate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-dehydro-shikimate can be found in a number of food items such as pot marjoram, salmonberry, purple laver, and lichee, which makes 3-dehydro-shikimate a potential biomarker for the consumption of these food products. 3-dehydro-shikimate may be a unique E.coli metabolite.
2-chloro-5-imino-2,3,5,7a-tetrahydro-1H-pyrrolizin-7a-ol
sulfanilamide
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3370; ORIGINAL_PRECURSOR_SCAN_NO 3366 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3389; ORIGINAL_PRECURSOR_SCAN_NO 3387 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3366; ORIGINAL_PRECURSOR_SCAN_NO 3363 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3385; ORIGINAL_PRECURSOR_SCAN_NO 3381 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3372; ORIGINAL_PRECURSOR_SCAN_NO 3369 CONFIDENCE standard compound; INTERNAL_ID 576; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3376; ORIGINAL_PRECURSOR_SCAN_NO 3373 CONFIDENCE standard compound; UCHEM_ID 4195
3-Dehydroshikimic acid
A 4-oxo monocarboxylic acid that is shikimic acid in which the allylic hydroxy group has been oxidised to the corresponding keto group.
2-(ISOPROPYLAMINO-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
DIHYDRO-1,3-DIMETHYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
1-(4-HYDROXYPHENYL)-3-(2,3,4-TRIMETHOXYPHENYL)-2-PROPEN-1-ONE
1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-(9CI)
(3aR,4R,7aR)-4-(hydroxymethyl)-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide
nicotinamide chloromethylate
TRIA-662 (1-Methylnicotinamide chloride) is an endogenous metabolite. TRIA-662 shows antithrombotic and anti-inflammatory activities[1].
N-Hydroxybenzenecarboximidamide hydrochloride (1:1)
N-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-Acetamide
3-Carboxy-alpha,alpha-difluorotoluene, 3-Carboxybenzal fluoride
Pralidoxime chloride
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents > D000931 - Antidotes D004793 - Enzyme Reactivators
4(1H)-Pyrimidinone,2,3-dihydro-5-(2-hydroxyethyl)-2-thioxo-
1,3-dihydro-imidazol-2-one-5-methoxymethyl-4-carboxylic acid
3-Methyl-[1,2,4]thiadiazole-5-carboxylic acid ethyl ester
4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
5,5-Dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide
2,3-Dihydro-1H-imidazo[1,2-a]pyridin-5-one hydrochloride
1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester
(S)-2-Amino-3-(3-hydroxy-isoxazol-4-YL)propionic acid
Quinaldate
A quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3.
(2E,4E)-2,4-dihydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
(2Z,4E)-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid
(2Z,4E)-4-hydroxy-6-methoxy-6-oxohexa-2,4-dienoic acid
2-Oxohept-4-ene-1,7-dioic acid
An oxo dicarboxylic acid that is 2-oxohept-4-ene in which the two terminal methyl groups are replaced by carboxy groups.
6-(2-hydroxyethyl)-2-sulfanylidene-1H-pyrimidin-4-one
Hydantoin-5-propionic acid
A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4.
3-(5-oxoisoxazolin-4-yl)-L-alanine
A member of the class of isoxazoles that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-4-yl group.
3-(5-oxoisoxazolin-2-yl)-L-alanine
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-2-yl group.
(3Z,5E)-4,6-dihydroxy-5-methyl-2-oxohexa-3,5-dienoic acid
(2S)-2-isopropyl-3-oxosuccinate(2-)
A dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid.
3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-4-yl)-L-alanine; major species at pH 7.3.
3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-2-yl)-L-alanine; major species at pH 7.3.
N-formimidoyl-L-glutamate(2-)
A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-glutamic acid.
trans,trans-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a trans-configuration.
cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid
A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a cis-configuration.
