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CHEBI:32377 - petroselaidate

ChEBI IDCHEBI:32377
ChEBI Namepetroselaidate
Stars
DefinitionAn unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselaidic acid. The major species at pH 7.3.
Last Modified10 November 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H33O2
Net Charge-1
Average Mass281.460
Monoisotopic Mass281.24860
SMILESCCCCCCCCCCC/C=C/CCCCC(=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/h12-13H,2-11,14-17H2,1H3,(H,19,20)/p-1/b13-12+
InChIKeyCNVZJPUDSLNTQU-OUKQBFOZSA-M
ChEBI Ontology
Outgoing Relation(s)
petroselaidate (CHEBI:32377) is a long-chain fatty acid anion (CHEBI:57560)
petroselaidate (CHEBI:32377) is a unsaturated fatty acid anion (CHEBI:2580)
petroselaidate (CHEBI:32377) is conjugate base of petroselaidic acid (CHEBI:30829)
Incoming Relation(s)
petroselaidic acid (CHEBI:30829) is conjugate acid of petroselaidate (CHEBI:32377)
IUPAC Name 
(6E)-octadec-6-enoate
Synonyms  Source
trans-6-octadecenoateChEBI
trans-Δ6-octadecenoateChEBI
octadec-6t-enoateChEBI
trans-octadec-6-enoateChEBI
6E-octadecenoateChEBI