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CHEBI:36023 - vaccenic acid

ChEBI IDCHEBI:36023
ChEBI Namevaccenic acid
Stars
DefinitionAn octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations.
Last Modified8 February 2017
DownloadsMolfile
FormulaC18H34O2
Net Charge0
Average Mass282.468
Monoisotopic Mass282.25588
SMILES[H]C(CCCCCC)=C([H])CCCCCCCCCC(=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/h7-8H,2-6,9-17H2,1H3,(H,19,20)
InChIKeyUWHZIFQPPBDJPM-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)
vaccenic acid (CHEBI:36023) is a octadecenoic acid (CHEBI:25634)
vaccenic acid (CHEBI:36023) is a straight-chain fatty acid (CHEBI:59202)
vaccenic acid (CHEBI:36023) is conjugate acid of vaccenate(1−) (CHEBI:50498)
Incoming Relation(s)
cis-vaccenic acid (CHEBI:50464) is a vaccenic acid (CHEBI:36023)
trans-vaccenic acid (CHEBI:28727) is a vaccenic acid (CHEBI:36023)
vaccenate(1−) (CHEBI:50498) is conjugate base of vaccenic acid (CHEBI:36023)
vaccenoyl group (CHEBI:27261) is substituent group from vaccenic acid (CHEBI:36023)
IUPAC Name 
octadec-11-enoic acid
Synonyms  Source
11-octadecenoic acidChEBI
18:1 (11)ChEBI
18:1 (n-7)ChEBI
C18:1 (11)ChEBI
C18:1 (n-7)ChEBI
Octadec-11-ensäureChEBI
Manual XrefsDatabases
HMDB0003231HMDB
Registry NumbersSources
Reaxys:1726564Reaxys