(2S)-2-isopropylmalic acid (CHEBI:35128)

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ChEBI Name	(2S)-2-isopropylmalic acid

ChEBI ID	CHEBI:35128

ChEBI ASCII Name	(2S)-2-isopropylmalic acid

Definition	An optically active form of 2-isopropylmalic acid having S-configuration.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C7H12O5

Net Charge

Average Mass

176.167

Monoisotopic Mass

176.06847

InChI

InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1

InChIKey

BITYXLXUCSKTJS-ZETCQYMHSA-N

SMILES

C(C(=O)O)[C@](C(=O)O)(O)C(C)C

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):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via 2-isopropylmalic acid )

ChEBI Ontology
Outgoing	(2S)-2-isopropylmalic acid (CHEBI:35128) is a 2-isopropylmalic acid (CHEBI:28635) (2S)-2-isopropylmalic acid (CHEBI:35128) is conjugate acid of (2S)-2-isopropylmalate(2−) (CHEBI:1178)

Incoming	(2S)-2-isopropylmalate(2−) (CHEBI:1178) is conjugate base of (2S)-2-isopropylmalic acid (CHEBI:35128)

IUPAC Name

(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid

Synonyms	Sources
(2S)-2-Hydroxy-2-isopropylsuccinic acid	KEGG COMPOUND
(2S)-2-hydroxy-2-isopropylsuccinic acid	ChEBI
(2S)-2-Isopropylmalate	KEGG COMPOUND
(3S)-3-carboxy-3-hydroxy-4-methylpentanoic acid	ChEBI
(3S)-3-carboxy-3-hydroxyisocaproic acid	ChEBI
(S)-2-Hydroxy-2-(isopropyl)succinic acid	ChemIDplus
2-Isopropylmalic acid	KEGG COMPOUND
3-Carboxy-3-hydroxy-4-methylpentanoate	KEGG COMPOUND
3-Carboxy-3-hydroxyisocaproate	KEGG COMPOUND

Last Modified

03 August 2016