CHEBI:18136 - 3-(2,3-dihydroxyphenyl)propanoic acid

ChEBI IDCHEBI:18136
ChEBI Name3-(2,3-dihydroxyphenyl)propanoic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline.
Secondary ChEBI IDsCHEBI:1419, CHEBI:11718, CHEBI:19919
Last Modified5 August 2020
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)CCc1cccc(O)c1O
InChIInChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)
InChIKeyQZDSXQJWBGMRLU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136) has functional parent propionic acid (CHEBI:30768)
3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136) has role metabolite (CHEBI:25212)
3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136) is a (dihydroxyphenyl)propanoic acid (CHEBI:149591)
3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136) is conjugate acid of 3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951)
Incoming Relation(s)
3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951) is conjugate base of 3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136)
IUPAC Name 
3-(2,3-dihydroxyphenyl)propanoic acid
Synonyms  Source
2,3-DHPChEBI
2,3-DhppaChemIDplus
2,3-Dihydroxyphenylpropionic acidChemIDplus
2,3-dihydroxy-β-phenylpropionic acidChEBI
2,3-dihyrroxybenzenepropanoic acidChEBI
3-(2,3-dihydroxyphenyl)propionic acidChEBI
Manual XrefsDatabases
C04044KEGG COMPOUND
Registry NumbersSources
Beilstein:2938830Beilstein
CAS:3714-73-6ChemIDplus