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CHEBI:32362 - heptanoate

Default Structure
ChEBI IDCHEBI:32362
ChEBI Nameheptanoate
Stars
DefinitionA medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.
Last Modified27 September 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H13O2
Net Charge-1
Average Mass129.179
Monoisotopic Mass129.09210
SMILESCCCCCCC(=O)[O-]
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
heptanoate (CHEBI:32362) has role plant metabolite (CHEBI:76924)
heptanoate (CHEBI:32362) is a medium-chain fatty acid anion (CHEBI:59558)
heptanoate (CHEBI:32362) is a straight-chain saturated fatty acid anion (CHEBI:58954)
heptanoate (CHEBI:32362) is conjugate base of heptanoic acid (CHEBI:45571)
Incoming Relation(s)
O-heptanoyl-L-serine residue (CHEBI:177290) has functional parent heptanoate (CHEBI:32362)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion (CHEBI:138217) has functional parent heptanoate (CHEBI:32362)
2,4,6-trioxoheptanoate (CHEBI:19338) has functional parent heptanoate (CHEBI:32362)
3-isopropenyl-6-oxoheptanoate (CHEBI:64234) has functional parent heptanoate (CHEBI:32362)
heptanoic acid (CHEBI:45571) is conjugate acid of heptanoate (CHEBI:32362)
IUPAC Name 
heptanoate
Synonyms  Source
1-hexanecarboxylateChEBI
(7:0)ChEBI
CH3‒[CH2]5‒COO−IUPAC
enanthateChEBI
enanthylateChEBI
heptanoic acid, ion(1−)ChemIDplus
UniProt Name  Source
heptanoateUniProt
Manual XrefsDatabases
CPD-7619MetaCyc
Registry NumbersSources
Gmelin:327115Gmelin
Reaxys:3903940Reaxys
CAS:7563-37-3ChemIDplus
Citations