CHEBI:131958 - (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
ChEBI ID CHEBI:131958
ChEBI ASCII Name (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
Definition A polyunsaturated fatty acid anion that is the conjugate base of 13S,14S-epoxy-DHA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
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Formula C22H29O3
Net Charge -1
Average Mass 341.465
Monoisotopic Mass 341.21222
InChI InChI=1S/C22H30O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h3-4,6-7,9-15,18,20-21H,2,5,8,16-17,19H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21-/m0/s1
InChIKey FFAHMRSFNLJTHE-WGHUZSCTSA-M
SMILES C(\C=C\C=C\[C@H]1[C@@H](O1)C/C=C\C/C=C\CC)=C\C/C=C\CCC([O-])=O
ChEBI Ontology
Outgoing (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958) is a docosanoid anion (CHEBI:131864)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958) is a epoxydocosahexaenoate (CHEBI:157774)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958) is a long-chain fatty acid anion (CHEBI:57560)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958) is a polyunsaturated fatty acid anion (CHEBI:76567)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958) is conjugate base of (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228)
Incoming (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228) is conjugate acid of (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate (CHEBI:131958)
IUPAC Name
(4Z,7Z,9E,11E)-12-{(2S,3S)-3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-4,7,9,11-tetraenoate
Synonyms Sources
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate UniProt
(13S,14S)-epoxy-DHA(1−) SUBMITTER
(13S,14S)-epoxy-maresin(1−) SUBMITTER
Citations Waiting for Citations Types Sources
23504711 PubMed citation SUBMITTER
25036362 PubMed citation SUBMITTER
Last Modified
02 March 2018