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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
Average Mass 176.16718
Monoisotopic Mass 176.068
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 )
View more via ChEBI Ontology
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
Database Links Databases
C00019691 KNApSAcK
C04411 KEGG COMPOUND
View more database links
Last Modified
28 July 2014