CHEBI:165764 - gamma-12(13)-EpODE

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name gamma-12(13)-EpODE
ChEBI ID CHEBI:165764
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H30O3
Net Charge 0
Average Mass 294.435
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4+,11-8-/t16-,17+/m0/s1
InChIKey TVHXKPMFCYEQTM-DZDYOVOBSA-N
SMILES O1[C@H]([C@H]1C/C=C\C/C=C/CCCCC(O)=O)CCCCC
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 gamma-12(13)-EpODE (CHEBI:165764) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(6E,9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undeca-6,9-dienoic acid
Manual Xref Database
LMFA02000321 LIPID MAPS
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