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CHEBI:50498 - vaccenate(1−)

ChEBI IDCHEBI:50498
ChEBI Namevaccenate(1−)
Stars
ASCII Namevaccenate(1-)
DefinitionAn unsaturated long-chain fatty acid anion and the conjugate base of vaccenic acid, arising from deprotonation of the carboxylic acid group.
Last Modified25 October 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H33O2
Net Charge-1
Average Mass281.460
Monoisotopic Mass281.24860
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)/p-1
InChIKeyUWHZIFQPPBDJPM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
vaccenate(1−) (CHEBI:50498) is a long-chain fatty acid anion (CHEBI:57560)
vaccenate(1−) (CHEBI:50498) is a straight-chain fatty acid anion (CHEBI:59203)
vaccenate(1−) (CHEBI:50498) is a unsaturated fatty acid anion (CHEBI:2580)
vaccenate(1−) (CHEBI:50498) is conjugate base of vaccenic acid (CHEBI:36023)
Incoming Relation(s)
cis-vaccenate(1−) (CHEBI:30827) is a vaccenate(1−) (CHEBI:50498)
trans-vaccenate(1−) (CHEBI:30828) is a vaccenate(1−) (CHEBI:50498)
vaccenic acid (CHEBI:36023) is conjugate acid of vaccenate(1−) (CHEBI:50498)
IUPAC Name 
octadec-11-enoate
Synonyms  Source
11-octadecenoateChEBI
vaccenateChEBI