CHEBI:86369 - 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid
ChEBI ID CHEBI:86369
Definition A dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O4
Net Charge 0
Average Mass 182.17330
Monoisotopic Mass 182.05791
InChI InChI=1S/C9H10O4/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKey KHTAGVZHYUZYMF-UHFFFAOYSA-N
SMILES OC(CC(O)=O)c1cccc(O)c1
Metabolite of Species Details
Homo sapiens (NCBI:txidtxid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txidtxid9606) See: DOI
Homo sapiens (NCBI:txidtxid9606) See: MetaboLights Study
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): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid (CHEBI:86369) has functional parent 3-hydroxypropionic acid (CHEBI:33404)
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid (CHEBI:86369) has role human urinary metabolite (CHEBI:84087)
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid (CHEBI:86369) is a dihydroxy monocarboxylic acid (CHEBI:35972)
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid (CHEBI:86369) is a phenols (CHEBI:33853)
IUPAC Name
3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
Synonyms Sources
(3-Hydroxyphenyl)hydracrylic acid HMDB
3'-Hydroxyphenylhydracrylic acid HMDB
3-(3-Hydroxyphenyl)-3-hydroxypropionic acid HMDB
3-(3-Hydroxyphenyl)hydracrylic acid HMDB
3-(m-Hydroxyphenyl)hydracrylic acid HMDB
3-Hydroxy-3-(3-hydroxyphenyl)propionic acid HMDB
3-Hydroxyphenyl-hydracrylic acid HMDB
b-(m-Hydroxyphenyl)hydracrylic acid HMDB
beta-(m-Hydroxyphenyl)hydracrylic acid HMDB
HPHPA HMDB
Manual Xref Database
HMDB0002643 HMDB
View more database links
Registry Numbers Types Sources
3201161 Reaxys Registry Number Reaxys
3247-75-4 CAS Registry Number ChemIDplus
Last Modified
01 February 2016