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CHEBI:179101 - 2-Benzylmalic acid

ChEBI IDCHEBI:179101
ChEBI Name2-Benzylmalic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESO=C(O)CC(O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H12O5/c12-9(13)7-11(16,10(14)15)6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,12,13)(H,14,15)
InChIKeyZNAJIKYTBCGAQQ-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)
2-Benzylmalic acid (CHEBI:179101) is a benzenes (CHEBI:22712)
2-Benzylmalic acid (CHEBI:179101) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-benzyl-2-hydroxybutanedioic acid
Manual XrefsDatabases
134147ChemSpider
HMDB0142172HMDB
Registry NumbersSources
CAS:16947-49-2ChemIDplus