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CHEBI:78336 - meta-hydroxyphenylhydracrylic acid

ChEBI IDCHEBI:78336
ChEBI Namemeta-hydroxyphenylhydracrylic acid
Stars
ASCII Namemeta-hydroxyphenylhydracrylic acid
DefinitionA 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.
Last Modified24 April 2014
Submitternamrata
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESO=C(O)C(CO)c1cccc(O)c1
InChIInChI=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)
InChIKeyDGBMCKWHCNMPPE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
Meta-Hydroxyphenylhydracrylic_acidWikipedia
Registry NumbersSources
Reaxys:15405544Reaxys
Citations