CHEBI:15591 - 3-ethylmalic acid

ChEBI IDCHEBI:15591
ChEBI Name3-ethylmalic acid
Stars
DefinitionThe 2-hydroxy-3-ethyl derivative of succinic acid.
Secondary ChEBI IDsCHEBI:1501, CHEBI:11795, CHEBI:20017
Last Modified30 June 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H10O5
Net Charge0
Average Mass162.141
Monoisotopic Mass162.05282
SMILESCCC(C(=O)O)C(O)C(=O)O
InChIInChI=1S/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
InChIKeyJUCRENBZZQKFGK-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-ethylmalic acid (CHEBI:15591) has functional parent succinic acid (CHEBI:15741)
3-ethylmalic acid (CHEBI:15591) is a 2-hydroxydicarboxylic acid (CHEBI:50263)
3-ethylmalic acid (CHEBI:15591) is conjugate acid of 3-ethylmalate(2−) (CHEBI:57425)
Incoming Relation(s)
3-ethylmalate(2−) (CHEBI:57425) is conjugate base of 3-ethylmalic acid (CHEBI:15591)
IUPAC Name 
2-ethyl-3-hydroxybutanedioic acid
Synonym  Source
3-EthylmalateKEGG COMPOUND
Manual XrefsDatabases
C01989KEGG COMPOUND
C01989KEGG COMPOUND