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CHEBI:19135 - (13S)-12,13-epoxyoctadeca-9,11-dienoic acid

ChEBI IDCHEBI:19135
ChEBI Name(13S)-12,13-epoxyoctadeca-9,11-dienoic acid
Stars
ASCII Name(13S)-12,13-epoxyoctadeca-9,11-dienoic acid
DefinitionA C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group.
Last Modified28 March 2011
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILES[H]C(=CC([H])=C1O[C@@]1([H])CCCCC)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,14,16H,2-7,9-10,12-13,15H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyZFVKKBAQVWQQHP-INIZCTEOSA-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)
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135) has functional parent octadeca-9,11-dienoic acid (CHEBI:36025)
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135) is a epoxy fatty acid (CHEBI:61498)
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135) is a long-chain fatty acid (CHEBI:15904)
(13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135) is a polyunsaturated fatty acid (CHEBI:26208)
Incoming Relation(s)
(9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:15654) is a (13S)-12,13-epoxyoctadeca-9,11-dienoic acid (CHEBI:19135)
IUPAC Name 
11-[(3S)-3-pentyloxiran-2-ylidene]undec-9-enoic acid
Citations