Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 22:03:49 UTC
Update Date2024-04-30 19:33:46 UTC
Metabolite IDMMDBc0000823
Metabolite Identification
Common Name3-(2,4-Dihydroxyphenyl)propanoic acid
Description3-(2,4-Dihydroxyphenyl)propanoic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 3-(2,4-Dihydroxyphenyl)propanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 3-(2,4-dihydroxyphenyl)propanoic acid is a product of 3-(2,4-dihydroxyphenyl)prop-2-enoic acid metabolism via a reduction-of-alpha-beta-unsaturated-compounds-pattern1 reaction occurring in human gut microbiota and catalyzed by the abkar1 enzyme (PMID: 30612223 ).
Structure
Synonyms
ValueSource
3-(2,4-Dihydroxyphenyl)propanoateGenerator
3-(24-Dihydroxyphenyl)propionic acidHMDB
3-(24-Dihydroxyphenyl)propionateHMDB
3-(2,4-Dihydroxyphenyl)propionic acidHMDB
DPPA acidHMDB
2,4-Dihydroxy-beta-phenylpropanoic acidHMDB
2,4-Dihydroxy-beta-phenylpropionic acidHMDB
2,4-Dihydroxy-β-phenylpropanoic acidHMDB
2,4-Dihydroxy-β-phenylpropionic acidHMDB
2,4-Dihydroxybenzenepropanoic acidHMDB
2,4-Dihydroxybenzenepropionic acidHMDB
2,4-Dihydroxyhydrocinnamic acidHMDB
2,4-Dihydroxyphenylpropanoic acidHMDB
2,4-Dihydroxyphenylpropionic acidHMDB
3-(2,4-Dihydroxyphenyl)propanoic acidHMDB
Molecular FormulaC9H10O4
Average Mass182.1733
Monoisotopic Mass182.057908808
IUPAC Name3-(2,4-dihydroxyphenyl)propanoic acid
Traditional Name3-(2,4-dihydroxyphenyl)propanoic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CCC1=C(O)C=C(O)C=C1
InChI Identifier
InChI=1S/C9H10O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChI KeyHMCMTJPPXSGYJY-UHFFFAOYSA-N