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CHEBI:35114 - 3-isopropylmalic acid

Default Structure
ChEBI IDCHEBI:35114
ChEBI Name3-isopropylmalic acid
Stars
Last Modified24 February 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass176.168
Monoisotopic Mass176.06847
SMILESCC(C)C(C(=O)O)C(O)C(=O)O
InChIInChI=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)
InChIKeyRNQHMTFBUSSBJQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 a dicarboxylic fatty acid (CHEBI:189840)
3-isopropylmalic acid (CHEBI:35114) is conjugate acid of 3-isopropylmalate(2−) (CHEBI:15592)
Incoming Relation(s)
(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  Source
2-hydroxy-3-isopropylsuccinic acidChEBI
3-carboxy-2-hydroxy-4-methylpentanoic acidChEBI
Manual XrefsDatabases
DB04279DrugBank
Registry NumbersSources
CAS:16048-89-8ChEBI
Citations