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

Default Structure
ChEBI IDCHEBI:16104
ChEBI Name3-(2-hydroxyphenyl)propanoic acid
Stars
DefinitionA monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group.
Secondary ChEBI IDsCHEBI:1422, CHEBI:19921, CHEBI:19922
Last Modified23 October 2015
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESO=C(O)CCc1ccccc1O
InChIInChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKeyCJBDUOMQLFKVQC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungal xenobiotic metabolite  Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-hydroxybenzenepropanoic acidChemIDplus
3-(2-hydroxyphenyl)propionic acidMetaCyc
3-(2-Hydroxyphenyl)propionic acidKEGG COMPOUND
3-(o-hydroxyphenyl) propionic acidMetaCyc
melilotic acidChEBI
o-Hydroxyphenylpropionic acidChemIDplus
Manual XrefsDatabases
C00002756KNApSAcK
C01198KEGG COMPOUND
c0398UM-BBD
MELILOTATEMetaCyc
Registry NumbersSources
Reaxys:1681601Reaxys
CAS:495-78-3KEGG COMPOUND
CAS:495-78-3ChemIDplus
Citations