EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:16423 - (9Z)-octadec-9-en-12-ynoic acid

ChEBI IDCHEBI:16423
ChEBI Name(9Z)-octadec-9-en-12-ynoic acid
Stars
ASCII Name(9Z)-octadec-9-en-12-ynoic acid
DefinitionAn octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12.
Secondary ChEBI IDsCHEBI:3912, CHEBI:3913, CHEBI:23407
Last Modified9 November 2015
DownloadsMolfile
FormulaC18H30O2
Net Charge0
Average Mass278.436
Monoisotopic Mass278.22458
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)/b10-9-
InChIKeySAOSKFBYQJLQOS-KTKRTIGZSA-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)
(9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) is a octadecenynoic acid (CHEBI:25635)
(9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423) is conjugate acid of crepenynate (CHEBI:14030)
Incoming Relation(s)
(9Z)-octadec-9-en-12-ynoyl-containing glycerolipid (CHEBI:88260) has functional parent (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423)
crepenynate (CHEBI:14030) is conjugate base of (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423)
(9Z)-octadec-9-en-12-ynoyl group (CHEBI:86295) is substituent group from (9Z)-octadec-9-en-12-ynoic acid (CHEBI:16423)
IUPAC Name 
(9Z)-octadec-9-en-12-ynoic acid
Synonyms  Source
(Z)-9-Octadecen-12-ynoic acidKEGG COMPOUND
Crepenynic acidKEGG COMPOUND
cis-9-Octadecen-12-ynoic acidChemIDplus
CrepenynsäureChEBI
cis-Octadec-9-en-12-in-1-säureChEBI
9c12a-18:2ChEBI
Manual XrefsDatabases
C07289KEGG COMPOUND
LMFA01030742LIPID MAPS
C00001278KNApSAcK
Registry NumbersSources
Reaxys:1911942Reaxys
CAS:2277-31-8KEGG COMPOUND
CAS:2277-31-8ChemIDplus
Citations