CHEBI:16104 - 3-(2-hydroxyphenyl)propanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2-hydroxyphenyl)propanoic acid
ChEBI ID CHEBI:16104
Definition A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19921, CHEBI:1422, CHEBI:19922
Supplier Information
Download Molfile XML SDF
Formula C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.063
InChI InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey CJBDUOMQLFKVQC-UHFFFAOYSA-N
SMILES OC(=O)CCc1ccccc1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
fungal xenobiotic metabolite
Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) has functional parent propionic acid (CHEBI:30768)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) has role fungal xenobiotic metabolite (CHEBI:76968)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) has role human xenobiotic metabolite (CHEBI:76967)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) has role plant metabolite (CHEBI:76924)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) is a monocarboxylic acid (CHEBI:25384)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) is a phenols (CHEBI:33853)
3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104) is conjugate acid of 3-(2-hydroxyphenyl)propanoate (CHEBI:46957)
Incoming 3-(2-hydroxyphenyl)propanoate (CHEBI:46957) is conjugate base of 3-(2-hydroxyphenyl)propanoic acid (CHEBI:16104)
IUPAC Name
3-(2-hydroxyphenyl)propanoic acid
Synonyms Sources
2-hydroxybenzenepropanoic acid ChemIDplus
3-(2-Hydroxyphenyl)propionic acid KEGG COMPOUND
3-(2-hydroxyphenyl)propionic acid MetaCyc
3-(o-hydroxyphenyl) propionic acid MetaCyc
melilotic acid ChEBI
o-Hydroxyphenylpropionic acid ChemIDplus
Database Links Databases
C00002756 KNApSAcK
C01198 KEGG COMPOUND
c0398 UM-BBD
MELILOTATE MetaCyc
View more database links
Registry Numbers Types Sources
1681601 Reaxys Registry Number Reaxys
1681601 Beilstein Registry Number Beilstein
495-78-3 CAS Registry Number KEGG COMPOUND
495-78-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14243380 PubMed citation Europe PMC
14269315 PubMed citation Europe PMC
4192639 PubMed citation Europe PMC
7483862 PubMed citation Europe PMC
7839702 PubMed citation Europe PMC
Last Modified
23 October 2015