(2R,3S)-3-isopropylmalic acid (CHEBI:43468)

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ChEBI Name	(2R,3S)-3-isopropylmalic acid

ChEBI ID	CHEBI:43468

ChEBI ASCII Name	(2R,3S)-3-isopropylmalic acid

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

Secondary ChEBI IDs	CHEBI:35122, CHEBI:43465

Supplier Information

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Formula

C7H12O5

Net Charge

Average Mass

176.168

Monoisotopic Mass

176.06847

InChI

InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m0/s1

InChIKey

RNQHMTFBUSSBJQ-CRCLSJGQSA-N

SMILES

CC(C)[C@@H]([C@@H](O)C(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	(2R,3S)-3-isopropylmalic acid (CHEBI:43468) is a 3-isopropylmalic acid (CHEBI:35114) (2R,3S)-3-isopropylmalic acid (CHEBI:43468) is conjugate acid of (2R,3S)-3-isopropylmalate(2−) (CHEBI:35121)

Incoming	(2R,3S)-3-isopropylmalate(2−) (CHEBI:35121) is conjugate base of (2R,3S)-3-isopropylmalic acid (CHEBI:43468)

IUPAC Name

(2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioic acid

Synonyms	Sources
(2R,3S)-2-hydroxy-3-isopropylsuccinic acid	ChEBI
(2R,3S)-3-carboxy-2-hydroxy-4-methylpentanoic acid	ChEBI
2-D-threo-Hydroxy-3-carboxy-isocaproate	KEGG COMPOUND
2-D-threo-hydroxy-3-carboxyisocaproic acid	ChEBI
3-Carboxy-2-hydroxy-4-methylpentanoate	KEGG COMPOUND
3-Isopropylmalate	KEGG COMPOUND

Last Modified

23 February 2022