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CHEBI:35825 - mandelic acid

ChEBI IDCHEBI:35825
ChEBI Namemandelic acid
Stars
DefinitionA 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups.
Secondary ChEBI IDsCHEBI:25149, CHEBI:32801
Last Modified7 July 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H8O3
Net Charge0
Average Mass152.149
Monoisotopic Mass152.04734
SMILESO=C(O)C(O)c1ccccc1
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
mandelic acid (CHEBI:35825) has functional parent acetic acid (CHEBI:15366)
mandelic acid (CHEBI:35825) has role antibacterial agent (CHEBI:33282)
mandelic acid (CHEBI:35825) has role human xenobiotic metabolite (CHEBI:76967)
mandelic acid (CHEBI:35825) is a 2-hydroxy monocarboxylic acid (CHEBI:49302)
mandelic acid (CHEBI:35825) is a benzenes (CHEBI:22712)
mandelic acid (CHEBI:35825) is conjugate acid of mandelate (CHEBI:25147)
Incoming Relation(s)
3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) has functional parent mandelic acid (CHEBI:35825)
3-hydroxymandelic acid (CHEBI:86553) has functional parent mandelic acid (CHEBI:35825)
3,4-dihydroxymandelic acid (CHEBI:27637) has functional parent mandelic acid (CHEBI:35825)
3,4-methylenedioxymandelic acid (CHEBI:65054) has functional parent mandelic acid (CHEBI:35825)
4-hydroxymandelic acid (CHEBI:16388) has functional parent mandelic acid (CHEBI:35825)
cyclandelate (CHEBI:3988) has functional parent mandelic acid (CHEBI:35825)
ethyl hydroxy(phenyl)acetate (CHEBI:38750) has functional parent mandelic acid (CHEBI:35825)
vanillylmandelic acid (CHEBI:20106) has functional parent mandelic acid (CHEBI:35825)
(R)-mandelic acid (CHEBI:17656) is a mandelic acid (CHEBI:35825)
(S)-mandelic acid (CHEBI:32800) is a mandelic acid (CHEBI:35825)
mandelate (CHEBI:25147) is conjugate base of mandelic acid (CHEBI:35825)
IUPAC Name 
hydroxy(phenyl)acetic acid
Synonyms  Source
2-Hydroxy-2-phenylacetic acidHMDB
2-Hydroxy-2-phenylethanoic acidHMDB
(RS)-Mandelic acidHMDB
MandelsäureChEBI
DL-Mandelic acidHMDB
α-hydroxybenzeneacetic acidNIST Chemistry WebBook
Manual XrefsDatabases
1629DrugCentral
HMDB0000703HMDB
Mandelic_acidWikipedia
Registry NumbersSources
Gmelin:218213Gmelin
Beilstein:510011Beilstein
Reaxys:510011Reaxys
CAS:90-64-2ChemIDplus
CAS:90-64-2NIST Chemistry WebBook
Citations