EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83046 - 5-dodecenoate

Default Structure
ChEBI IDCHEBI:83046
ChEBI Name5-dodecenoate
Stars
DefinitionA dodecenoate that is the conjugate base of 5-dodecenoic acid.
Last Modified19 September 2014
Submitternamrata
DownloadsMolfile
FormulaC12H21O2
Net Charge-1
Average Mass197.298
Monoisotopic Mass197.15470
SMILES[H]C(=CCCCCCC)CCCC(=O)[O-]
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/p-1
InChIKeyIJBFSOLHRKELLR-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5-dodecenoate (CHEBI:83046) has role human metabolite (CHEBI:77746)
5-dodecenoate (CHEBI:83046) is a dodecenoate (CHEBI:83045)
5-dodecenoate (CHEBI:83046) is conjugate base of 5-dodecenoic acid (CHEBI:83044)
Incoming Relation(s)
5-dodecenoic acid (CHEBI:83044) is conjugate acid of 5-dodecenoate (CHEBI:83046)
IUPAC Name 
dodec-5-enoate