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CHEBI:132228 - (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid

ChEBI IDCHEBI:132228
ChEBI Name(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
Stars
ASCII Name(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid
DefinitionAn epoxy fatty acid consisting of (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid having an epoxy group at the 13,14-position. An intermediate lipid in specialized proresolving mediators
Secondary ChEBI IDCHEBI:140198
Last Modified22 February 2018
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
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)/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t20-,21-/m0/s1
InChIKeyFFAHMRSFNLJTHE-WGHUZSCTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23504711)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228) has role human xenobiotic metabolite (CHEBI:76967)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228) is a epoxy fatty acid (CHEBI:61498)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228) is a long-chain fatty acid (CHEBI:15904)
(13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:132228) is a polyunsaturated fatty acid (CHEBI:26208)
(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)
Incoming Relation(s)
(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)
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-tetraenoic acid
Synonyms  Source
(13S,14S)-epoxy-DHAChEBI
(13S,14S)-epoxymaresinChEBI
13(S),14(S)-epoxy-DHASUBMITTER
13(S),14(S)-epoxydocoshexaenoic acidChEBI
Citations