CHEBI:143790 - (9S),10-epoxy-(10,12Z)-octadecadienoic acid

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ChEBI Name (9S),10-epoxy-(10,12Z)-octadecadienoic acid
ChEBI ID CHEBI:143790
ChEBI ASCII Name (9S),10-epoxy-(10,12Z)-octadecadienoic acid
Definition An epoxy fatty acid that is oxirane substituted by a (2Z)-oct-2-en-1-ylidene group and a 7-carboxyheptyl group at positions 2 and 3, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H30O3
Net Charge 0
Average Mass 294.435
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,13,17H,2-6,8-9,11-12,14-15H2,1H3,(H,19,20)/b10-7-,16-13?/t17-/m0/s1
InChIKey LVVCDOSOKGYQFY-IDQNXFEJSA-N
SMILES C(O)(=O)CCCCCCC[C@H]1C(=C(/C=C\CCCCC)[H])O1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790) has functional parent linoleic acid (CHEBI:17351)
(9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790) is a epoxy fatty acid (CHEBI:61498)
(9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790) is a long-chain fatty acid (CHEBI:15904)
(9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790) is a polyunsaturated fatty acid (CHEBI:26208)
(9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790) is conjugate acid of (9S),10-epoxy-(10,12Z)-octadecadienoate (CHEBI:143139)
Incoming (9S),10-epoxy-(10,12Z)-octadecadienoate (CHEBI:143139) is conjugate base of (9S),10-epoxy-(10,12Z)-octadecadienoic acid (CHEBI:143790)
IUPAC Name
8-{(2S)-3-[(2Z)-oct-2-en-1-ylidene]oxiran-2-yl}octanoic acid
Manual Xref Database
LMFA02000015 LIPID MAPS
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Citation Waiting for Citations Type Source
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Last Modified
07 June 2019