CHEBI:179102 - 3-Benzylmalic acid

ChEBI IDCHEBI:179102
ChEBI Name3-Benzylmalic acid
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SubmitterMetaboLights
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FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESO=C(O)C(O)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6H2,(H,13,14)(H,15,16)
InChIKeySDRCJDXJFGYTRZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Benzylmalic acid (CHEBI:179102) is a benzenes (CHEBI:22712)
3-Benzylmalic acid (CHEBI:179102) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-benzyl-3-hydroxybutanedioic acid
Manual XrefsDatabases
C20654KEGG COMPOUND
28682027ChemSpider
HMDB0142173HMDB