CHEBI:36021 - octadec-9-enoic acid

ChEBI IDCHEBI:36021
ChEBI Nameoctadec-9-enoic acid
Stars
DefinitionAn octadecenoic acid with a double bond at C-9.
Last Modified9 August 2016
DownloadsMolfile
FormulaC18H34O2
Net Charge0
Average Mass282.468
Monoisotopic Mass282.25588
SMILES[H]C(CCCCCCCC)=C([H])CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)
InChIKeyZQPPMHVWECSIRJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS90)
- MetaboLights (MTBLS93)
- MetaboLights (MTBLS124)
- PubMed (25502724)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
octadec-9-enoic acid (CHEBI:36021) has parent hydride octadec-9-ene (CHEBI:37605)
octadec-9-enoic acid (CHEBI:36021) has role plant metabolite (CHEBI:76924)
octadec-9-enoic acid (CHEBI:36021) is a octadecenoic acid (CHEBI:25634)
octadec-9-enoic acid (CHEBI:36021) is conjugate acid of octadec-9-enoate (CHEBI:132944)
Incoming Relation(s)
N-(2-hydroxy-1-methylethyl)-9-octadecenamide (CHEBI:90125) has functional parent octadec-9-enoic acid (CHEBI:36021)
1-octadec-9-enoylglycero-3-phosphate (CHEBI:52288) has functional parent octadec-9-enoic acid (CHEBI:36021)
sterculic acid (CHEBI:9261) has functional parent octadec-9-enoic acid (CHEBI:36021)
vernolic acid (CHEBI:38299) has functional parent octadec-9-enoic acid (CHEBI:36021)
elaidic acid (CHEBI:27997) is a octadec-9-enoic acid (CHEBI:36021)
oleic acid (CHEBI:16196) is a octadec-9-enoic acid (CHEBI:36021)
octadec-9-enoate (CHEBI:132944) is conjugate base of octadec-9-enoic acid (CHEBI:36021)
octadec-9-enoyl group (CHEBI:50500) is substituent group from octadec-9-enoic acid (CHEBI:36021)
IUPAC Name 
octadec-9-enoic acid
Synonyms  Source
18:1, n-9ChEBI
Δ9-octadecenoic acidChemIDplus
C18:1, n-9ChEBI
9-octadecenoic acidChEBI
Registry NumbersSources
Reaxys:1726541Reaxys
CAS:2027-47-6ChemIDplus
CAS:2027-47-6NIST Chemistry WebBook
Citations