CHEBI:20106 - vanillylmandelic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name vanillylmandelic acid ChEBI ID CHEBI:20106 Definition An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information 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 C9H10O5 Net Charge 0 Average Mass 198.17270 Monoisotopic Mass 198.05282 InChI InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) InChIKey CGQCWMIAEPEHNQ-UHFFFAOYSA-N SMILES COc1cc(ccc1O)C(O)C(O)=O 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 metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing vanillylmandelic acid (CHEBI:20106) has functional parent mandelic acid (CHEBI:35825) vanillylmandelic acid (CHEBI:20106) has role human metabolite (CHEBI:77746) vanillylmandelic acid (CHEBI:20106) is a 2-hydroxy monocarboxylic acid (CHEBI:49302) vanillylmandelic acid (CHEBI:20106) is a aromatic ether (CHEBI:35618) vanillylmandelic acid (CHEBI:20106) is a phenols (CHEBI:33853) vanillylmandelic acid (CHEBI:20106) is conjugate acid of vanillylmandelate (CHEBI:27622) Incoming vanillylmandelate (CHEBI:27622) is conjugate base of vanillylmandelic acid (CHEBI:20106) IUPAC Name 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid Synonyms Sources 3-methoxy-4-hydroxymandelic acid ChEBI hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid IUPAC Vanillylmandelic acid KEGG COMPOUND Vanilmandelic acid ChemIDplus Manual Xrefs Databases C05584 KEGG COMPOUND HMDB0000291 HMDB VANILLYL_MANDELATE MetaCyc Vanillylmandelic_acid Wikipedia View more database links Registry Numbers Types Sources 2213227 Reaxys Registry Number Reaxys 2213227 Beilstein Registry Number Beilstein 55-10-7 CAS Registry Number KEGG COMPOUND 55-10-7 CAS Registry Number ChemIDplus Citations Types Sources 13756637 PubMed citation Europe PMC 23112240 PubMed citation Europe PMC 23399766 PubMed citation Europe PMC 23830883 PubMed citation Europe PMC 24327171 PubMed citation Europe PMC Last Modified 23 October 2015