CHEBI:78336 - meta-hydroxyphenylhydracrylic acid

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ChEBI Name meta-hydroxyphenylhydracrylic acid
ChEBI ID CHEBI:78336
ChEBI ASCII Name meta-hydroxyphenylhydracrylic acid
Definition A hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H10O4
Net Charge 0
Average Mass 182.17330
Monoisotopic Mass 182.058
InChI InChI=1S/C9H10O4/c10-5-8(9(12)13)6-2-1-3-7(11)4-6/h1-4,8,10-11H,5H2,(H,12,13)
InChIKey DGBMCKWHCNMPPE-UHFFFAOYSA-N
SMILES OCC(C(O)=O)c1cccc(O)c1
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 xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing meta-hydroxyphenylhydracrylic acid (CHEBI:78336) has functional parent propionic acid (CHEBI:30768)
meta-hydroxyphenylhydracrylic acid (CHEBI:78336) has role human xenobiotic metabolite (CHEBI:76967)
meta-hydroxyphenylhydracrylic acid (CHEBI:78336) is a hydroxy monocarboxylic acid (CHEBI:35868)
meta-hydroxyphenylhydracrylic acid (CHEBI:78336) is a phenols (CHEBI:33853)
IUPAC Name
3-hydroxy-2-(3-hydroxyphenyl)propanoic acid
Database Link Database
Meta-Hydroxyphenylhydracrylic_acid Wikipedia
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Registry Number Type Source
15405544 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13416236 PubMed citation Europe PMC
4153081 PubMed citation Europe PMC
4433713 PubMed citation Europe PMC
Last Modified
24 April 2014