EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:60959 - colnelenic acid

ChEBI IDCHEBI:60959
ChEBI Namecolnelenic acid
Stars
DefinitionA long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group.
Last Modified28 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H28O3
Net Charge0
Average Mass292.419
Monoisotopic Mass292.20384
SMILESCC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+
InChIKeyOYKAXBUWOIRLGF-VMBRNALUSA-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)
colnelenic acid (CHEBI:60959) is a divinyl ether fatty acid (CHEBI:61411)
colnelenic acid (CHEBI:60959) is a long-chain fatty acid (CHEBI:15904)
colnelenic acid (CHEBI:60959) is a straight-chain fatty acid (CHEBI:59202)
colnelenic acid (CHEBI:60959) is conjugate acid of colnelenate (CHEBI:60960)
Incoming Relation(s)
colnelenate (CHEBI:60960) is conjugate base of colnelenic acid (CHEBI:60959)
IUPAC Name 
(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]non-8-enoic acid
Synonyms  Source
acide colneléniqueChEBI
(8E)-9-[(1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy]-8-nonenoic acidChEBI
Manual XrefsDatabases
C00000448KNApSAcK
C16320KEGG COMPOUND
Registry NumbersSources
CAS:52591-16-9ChemIDplus
CAS:52591-16-9KEGG COMPOUND
Citations