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

ChEBI IDCHEBI:86369
ChEBI Name3-(3-hydroxyphenyl)-3-hydroxypropanoic acid
Stars
DefinitionA dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3.
Last Modified1 February 2016
Submitternamrata
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)CC(O)c1cccc(O)c1
InChIInChI=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)
InChIKeyKHTAGVZHYUZYMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- DOI (10.1007/s11306-014-0642-1)
urine (BTO:0001419) PubMed (24023812)
- MetaboLights (MTBLS101)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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  Source
(3-Hydroxyphenyl)hydracrylic acidHMDB
3-(3-Hydroxyphenyl)hydracrylic acidHMDB
3-(m-Hydroxyphenyl)hydracrylic acidHMDB
3-Hydroxy-3-(3-hydroxyphenyl)propionic acidHMDB
b-(m-Hydroxyphenyl)hydracrylic acidHMDB
3-Hydroxyphenyl-hydracrylic acidHMDB
Manual XrefsDatabases
HMDB0002643HMDB
Registry NumbersSources
Reaxys:3201161Reaxys
CAS:3247-75-4ChemIDplus