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CHEBI:86553 - 3-hydroxymandelic acid

ChEBI IDCHEBI:86553
ChEBI Name3-hydroxymandelic acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid that is mandelic acid substituted by a hydroxy group at position 3'.
Last Modified23 October 2015
DownloadsMolfile
FormulaC8H8O4
Net Charge0
Average Mass168.148
Monoisotopic Mass168.04226
SMILESO=C(O)C(O)c1cccc(O)c1
InChIInChI=1S/C8H8O4/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
InChIKeyOLSDAJRAVOVKLG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (6788786)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxymandelic acid (CHEBI:86553) has functional parent mandelic acid (CHEBI:35825)
3-hydroxymandelic acid (CHEBI:86553) has role human metabolite (CHEBI:77746)
3-hydroxymandelic acid (CHEBI:86553) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
3-hydroxymandelic acid (CHEBI:86553) is a phenols (CHEBI:33853)
IUPAC Name 
hydroxy(3-hydroxyphenyl)acetic acid
Synonyms  Source
2-hydroxy-2-(3-hydroxyphenyl)ethanoic acidChEBI
2-hydroxy-2-(3-hydroxyphenyl)acetic acidChEBI
m-hydroxymandelic acidChEBI
Manual XrefsDatabases
HMDB0000750HMDB
Registry NumbersSources
Reaxys:2365378Reaxys
CAS:17119-15-2ChemIDplus
Citations