CHEBI:35825 - mandelic acid

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ChEBI Name mandelic acid ChEBI ID CHEBI:35825 Definition A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:25149, CHEBI:32801 Supplier Information ChemicalBook:CB1454369, eMolecules:520938, ZINC000000001669 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H8O3 Net Charge 0 Average Mass 152.14732 Monoisotopic Mass 152.04734 InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) InChIKey IWYDHOAUDWTVEP-UHFFFAOYSA-N SMILES OC(C(O)=O)c1ccccc1 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): antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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) 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) 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 Sources (RS)-Mandelic acid HMDB 2-Hydroxy-2-phenylacetic acid HMDB 2-Hydroxy-2-phenylethanoic acid HMDB α-hydroxybenzeneacetic acid NIST Chemistry WebBook DL-Mandelic acid HMDB Mandelsäure ChEBI Manual Xrefs Databases 1629 DrugCentral HMDB0000703 HMDB Mandelic_acid Wikipedia View more database links Registry Numbers Types Sources 218213 Gmelin Registry Number Gmelin 510011 Beilstein Registry Number Beilstein 510011 Reaxys Registry Number Reaxys 90-64-2 CAS Registry Number NIST Chemistry WebBook 90-64-2 CAS Registry Number ChemIDplus Citations Types Sources 22770225 PubMed citation Europe PMC 24278065 PubMed citation Europe PMC 4813698 PubMed citation Europe PMC Last Modified 07 July 2017

General Comment 2014-03-11 Mandelic acid in found in urine samples of humans that have been exposed to styrene.