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CHEBI:14030 - crepenynate

ChEBI IDCHEBI:14030
ChEBI Namecrepenynate
Stars
DefinitionA long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group.
Last Modified16 July 2015
DownloadsMolfile
FormulaC18H29O2
Net Charge-1
Average Mass277.428
Monoisotopic Mass277.21730
SMILESCCCCCC#CC/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b10-9-
InChIKeySAOSKFBYQJLQOS-KTKRTIGZSA-M
ChEBI Ontology
Outgoing Relation(s)
crepenynate (CHEBI:14030) is a long-chain fatty acid anion (CHEBI:57560)
crepenynate (CHEBI:14030) is a straight-chain fatty acid anion (CHEBI:59203)
crepenynate (CHEBI:14030) is a unsaturated fatty acid anion (CHEBI:2580)
crepenynate (CHEBI:14030) is conjugate base of (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423)
Incoming Relation(s)
(9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) is conjugate acid of crepenynate (CHEBI:14030)
IUPAC Name 
(9Z)-octadec-9-en-12-ynoate
Synonyms  Source
CrepenynateKEGG COMPOUND
(9Z)-Octadec-9-en-12-ynoateKEGG COMPOUND
(Z)-9-octadecen-12-ynoateChEBI
cis-9-octadecen-12-ynoateChEBI
UniProt Name  Source
crepenynateUniProt
Manual XrefsDatabases
C07289KEGG COMPOUND