2-isopropylmalate(2-) (CHEBI:28107)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2-isopropylmalate(2−)

ChEBI ID	CHEBI:28107

ChEBI ASCII Name	2-isopropylmalate(2-)

Definition	A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-isopropylmalic acid.

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

Secondary ChEBI IDs	CHEBI:1115, CHEBI:35129, CHEBI:19595

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C7H10O5

Net Charge

-2

Average Mass

174.152

Monoisotopic Mass

174.05392

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)/p-2

InChIKey

BITYXLXUCSKTJS-UHFFFAOYSA-L

SMILES

C(C(=O)[O-])C(C(=O)[O-])(O)C(C)C

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology
Outgoing	2-isopropylmalate(2−) (CHEBI:28107) has functional parent succinate(2−) (CHEBI:30031) 2-isopropylmalate(2−) (CHEBI:28107) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 2-isopropylmalate(2−) (CHEBI:28107) is a 2-isopropylmalate (CHEBI:132917) 2-isopropylmalate(2−) (CHEBI:28107) is a dicarboxylic acid dianion (CHEBI:28965) 2-isopropylmalate(2−) (CHEBI:28107) is conjugate base of 2-isopropylmalic acid (CHEBI:28635)

Incoming	(2S)-2-isopropylmalate(2−) (CHEBI:1178) is a 2-isopropylmalate(2−) (CHEBI:28107) 2-isopropylmalic acid (CHEBI:28635) is conjugate acid of 2-isopropylmalate(2−) (CHEBI:28107)

IUPAC Name

2-hydroxy-2-(propan-2-yl)butanedioate

Synonyms	Sources
2-hydroxy-2-isopropylsuccinate	ChEBI
3-carboxy-3-hydroxy-4-methylpentanoate	ChEBI
3-carboxy-3-hydroxyisocaproate	ChEBI
3-hydroxy-4-methyl-3-carboxypentanoate	MetaCyc
α-isopropylmalate	MetaCyc

Manual Xref	Database
3-CARBOXY-3-HYDROXY-ISOCAPROATE	MetaCyc
View more database links

Last Modified

08 August 2016