CHEBI:46951 - 3-(2,3-dihydroxyphenyl)propanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2,3-dihydroxyphenyl)propanoate
ChEBI ID CHEBI:46951
Definition The conjugate base of 3-(2,3-dihydroxyphenyl)propanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11713, CHEBI:19918
Supplier Information
Download Molfile XML SDF
Formula C9H9O4
Net Charge -1
Average Mass 181.16536
Monoisotopic Mass 181.050
InChI InChI=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)/p-1
InChIKey QZDSXQJWBGMRLU-UHFFFAOYSA-M
SMILES Oc1cccc(CCC([O-])=O)c1O
ChEBI Ontology
Outgoing 3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951) has functional parent propionate (CHEBI:17272)
3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951) is a monocarboxylic acid anion (CHEBI:35757)
3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951) is conjugate base of 3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136)
Incoming 3-(2,3-dihydroxyphenyl)propanoic acid (CHEBI:18136) is conjugate acid of 3-(2,3-dihydroxyphenyl)propanoate (CHEBI:46951)
IUPAC Name
3-(2,3-dihydroxyphenyl)propanoate
Synonyms Sources
2,3-Dihydroxyphenylpropanoate KEGG COMPOUND
3-(2,3-dihydroxyphenyl)propanoate UniProt
Manual Xrefs Databases
C04044 KEGG COMPOUND
c0423 UM-BBD
View more database links
Registry Number Type Source
7374461 Beilstein Registry Number Beilstein
Last Modified
14 July 2014