CHEBI:35114 - 3-isopropylmalic acid

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ChEBI Name 3-isopropylmalic acid
ChEBI ID CHEBI:35114
Stars This entity has been manually annotated by the ChEBI Team.
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)
InChIKey RNQHMTFBUSSBJQ-UHFFFAOYSA-N
SMILES CC(C)C(C(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 3-isopropylmalic acid (CHEBI:35114) has functional parent succinic acid (CHEBI:15741)
3-isopropylmalic acid (CHEBI:35114) is a 2-hydroxydicarboxylic acid (CHEBI:50263)
3-isopropylmalic acid (CHEBI:35114) is conjugate acid of 3-isopropylmalate(2−) (CHEBI:15592)
Incoming (2R,3S)-3-isopropylmalic acid (CHEBI:43468) is a 3-isopropylmalic acid (CHEBI:35114)
3-isopropylmalate(2−) (CHEBI:15592) is conjugate base of 3-isopropylmalic acid (CHEBI:35114)
IUPAC Name
2-hydroxy-3-(propan-2-yl)butanedioic acid
Synonyms Sources
2-hydroxy-3-isopropylsuccinic acid ChEBI
3-carboxy-2-hydroxy-4-methylpentanoic acid ChEBI
Database Link Database
DB04279 DrugBank
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Last Modified
13 July 2008