CHEBI:28652 - 2-propylmalic acid

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ChEBI Name 2-propylmalic acid
ChEBI ID CHEBI:28652
Definition A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a propyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1270, CHEBI:19770, CHEBI:19771
Supplier Information
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Formula C7H12O5
Net Charge 0
Average Mass 176.16720
Monoisotopic Mass 176.06847
InChI InChI=1S/C7H12O5/c1-2-3-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
InChIKey KLURIVUFKOVPER-UHFFFAOYSA-N
SMILES CCCC(O)(CC(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 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 (R)-2-propylmalic acid (CHEBI:27567) is a 2-propylmalic acid (CHEBI:28652)
IUPAC Name
2-hydroxy-2-propylbutanedioic acid
Synonyms Sources
2-hydroxy-2-propylsuccinic acid ChEBI
2-Propylmalate KEGG COMPOUND
2-Propylmalic acid KEGG COMPOUND
Malic acid, 2-propyl- KEGG COMPOUND
Manual Xref Database
C05994 KEGG COMPOUND
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Registry Number Type Source
1779871 Reaxys Registry Number Reaxys
Last Modified
04 August 2014