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

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ChEBI Name (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid
ChEBI ID CHEBI:140225
ChEBI ASCII Name (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000169309052
Download Molfile XML SDF
Formula C22H30O3
Net Charge 0
Average Mass 342.473
Monoisotopic Mass 342.21949
InChI InChI=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
InChIKey XLYRHVKBJYDBOS-JTFGAIIUSA-N
SMILES C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C=C/[C@H]1[C@H](C/C=C\CC)O1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(16S,17S)-epoxy-DHA SUBMITTER
(16S,17S)-epoxydocosahexaenoic acid ChEBI
(16S,17S)-epoxyprotectin ChEBI
Registry Number Type Source
29003682 Reaxys Registry Number Reaxys
Citations
Last Modified
02 March 2018