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CHEBI:28652 - 2-propylmalic acid

Default Structure
ChEBI IDCHEBI:28652
ChEBI Name2-propylmalic acid
Stars
DefinitionA dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a propyl group.
Secondary ChEBI IDsCHEBI:1270, CHEBI:19770, CHEBI:19771
Last Modified3 August 2014
DownloadsMolfile
FormulaC7H12O5
Net Charge0
Average Mass176.168
Monoisotopic Mass176.06847
SMILESCCCC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKeyKLURIVUFKOVPER-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)
2-propylmalic acid (CHEBI:28652) has functional parent succinic acid (CHEBI:15741)
2-propylmalic acid (CHEBI:28652) is a 2-hydroxy carboxylic acid (CHEBI:52618)
2-propylmalic acid (CHEBI:28652) is a 3-hydroxy carboxylic acid (CHEBI:61355)
2-propylmalic acid (CHEBI:28652) is a dicarboxylic acid (CHEBI:35692)
Incoming Relation(s)
(R)-2-propylmalic acid (CHEBI:27567) is a 2-propylmalic acid (CHEBI:28652)
IUPAC Name 
2-hydroxy-2-propylbutanedioic acid
Synonyms  Source
2-hydroxy-2-propylsuccinic acidChEBI
2-PropylmalateKEGG COMPOUND
2-Propylmalic acidKEGG COMPOUND
Malic acid, 2-propyl-KEGG COMPOUND
Manual XrefsDatabases
C05994KEGG COMPOUND
Registry NumbersSources
Reaxys:1779871Reaxys