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CHEBI:140225 - (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid

ChEBI IDCHEBI:140225
ChEBI Name(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid
Stars
ASCII Name(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid
DefinitionAn epoxy fatty acid consisting of (4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid having an epoxy group located at the 16,17-position. An intermediate lipid in specialized proresolving mediators.
Last Modified2 March 2018
SubmitterBijay
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESCC/C=C\C[C@@H]1O[C@H]1/C=C/C=C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H30O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,10-15,18,20-21H,2,4,9,16-17,19H2,1H3,(H,23,24)/b7-5-,8-6-,12-10+,13-11-,14-3-,18-15+/t20-,21-/m0/s1
InChIKeyXLYRHVKBJYDBOS-JTFGAIIUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (26580578)
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)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) has role human xenobiotic metabolite (CHEBI:76967)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is a docosanoid (CHEBI:131863)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is a epoxy fatty acid (CHEBI:61498)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is a long-chain fatty acid (CHEBI:15904)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is a polyunsaturated fatty acid (CHEBI:26208)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225) is conjugate acid of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313)
Incoming Relation(s)
(16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate (CHEBI:140313) is conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid (CHEBI:140225)
IUPAC Name 
(4Z,7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,12,14-pentaenoic acid
Synonyms  Source
(16S,17S)-epoxy-DHASUBMITTER
(16S,17S)-epoxydocosahexaenoic acidChEBI
(16S,17S)-epoxyprotectinChEBI
Registry NumbersSources
Reaxys:29003682Reaxys
Citations