2-Benzylmalate (CHEBI:181931)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-Benzylmalate

ChEBI ID	CHEBI:181931

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12O5

Net Charge

Average Mass

224.212

Monoisotopic Mass

224.06847

InChI

InChI=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)/t11-/m1/s1

InChIKey

ZNAJIKYTBCGAQQ-LLVKDONJSA-N

SMILES

O[C@](CC1=CC=CC=C1)(CC(O)=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 )

ChEBI Ontology
Outgoing	2-Benzylmalate (CHEBI:181931) is a benzenes (CHEBI:22712) 2-Benzylmalate (CHEBI:181931) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

(2R)-2-benzyl-2-hydroxybutanedioic acid