EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83044 - 5-dodecenoic acid

ChEBI IDCHEBI:83044
ChEBI Name5-dodecenoic acid
Stars
DefinitionA dodecenoic acid having its double bond in the 5-position.
Last Modified23 July 2015
Submitternamrata
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
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)
InChIKeyIJBFSOLHRKELLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (7586519)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
5-dodecenoic acid (CHEBI:83044) has role human metabolite (CHEBI:77746)
5-dodecenoic acid (CHEBI:83044) is a dodecenoic acid (CHEBI:23867)
5-dodecenoic acid (CHEBI:83044) is conjugate acid of 5-dodecenoate (CHEBI:83046)
Incoming Relation(s)
cis-5-dodecenoic acid (CHEBI:86595) is a 5-dodecenoic acid (CHEBI:83044)
5-dodecenoate (CHEBI:83046) is conjugate base of 5-dodecenoic acid (CHEBI:83044)
IUPAC Name 
dodec-5-enoic acid
Manual XrefsDatabases
HMDB0000529HMDB
Registry NumbersSources
Reaxys:23013493Reaxys
Citations