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

Default Structure
ChEBI IDCHEBI:131958
ChEBI Name(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
Stars
ASCII Name(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
DefinitionA 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.
Last Modified2 March 2018
Submitternhn
DownloadsMolfile
FormulaC22H29O3
Net Charge-1
Average Mass341.471
Monoisotopic Mass341.21222
SMILESCC/C=C\C/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=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
InChIKeyFFAHMRSFNLJTHE-WGHUZSCTSA-M
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(13S,14S)-epoxy-DHA(1−)SUBMITTER
(13S,14S)-epoxy-maresin(1−)SUBMITTER
UniProt Name  Source
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z )-docosahexaenoateUniProt
Citations