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CHEBI:60956 - colneleic acid

ChEBI IDCHEBI:60956
ChEBI Namecolneleic acid
Stars
DefinitionA long-chain, divinyl ether fatty acid composed of 8-nonenoic acid having the E- hydrogen at position 9 substituted by a (1E,3Z)-nona-1,3,-dien-1-yloxy group.
Last Modified29 March 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+
InChIKeyHHZKKFXQEIBVEV-CXXUKANQSA-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)
colneleic acid (CHEBI:60956) is a divinyl ether fatty acid (CHEBI:61411)
colneleic acid (CHEBI:60956) is a long-chain fatty acid (CHEBI:15904)
colneleic acid (CHEBI:60956) is a straight-chain fatty acid (CHEBI:59202)
colneleic acid (CHEBI:60956) is conjugate acid of colneleate (CHEBI:60957)
Incoming Relation(s)
colneleate (CHEBI:60957) is conjugate base of colneleic acid (CHEBI:60956)
IUPAC Name 
(8E)-9-[(1E,3Z)-nona-1,3-dien-1-yloxy]non-8-enoic acid
Synonyms  Source
(8E,1'E,3'Z)-9-(1',3'-nonadienyloxy)-8-nonenoic acidChEBI
9-oxa-8t10t12c-18:3ChEBI
9-oxa-8t10t12c-C18:3ChEBI
ColneleinsäureChEBI
Registry NumbersSources
Reaxys:3547052Reaxys
CAS:52761-34-9ChemIDplus
Citations