CHEBI:140245 - (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid

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ChEBI Name (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid
ChEBI ID CHEBI:140245
ChEBI ASCII Name (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid
Definition A docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.487
Monoisotopic Mass 392.21989
InChI InChI=1S/C22H32O6/c1-2-3-10-15-20(27-25)16-11-7-5-4-6-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3,5-13,16-17,20-21,25-26H,2,4,14-15,18-19H2,1H3,(H,23,24)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKey NQUUEKCCEOGKDL-XGTWDWJNSA-N
SMILES C(C(O)=O)C/C=C\C[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)OO
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 (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) has role human xenobiotic metabolite (CHEBI:76967)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) is a docosanoid (CHEBI:131863)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) is a long-chain fatty acid (CHEBI:15904)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245) is conjugate acid of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate (CHEBI:140349)
Incoming (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate (CHEBI:140349) is conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid (CHEBI:140245)
IUPAC Name
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosa-4,8,10,13,15,19-hexaenoic acid
Synonyms Sources
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosahexaenoic acid ChEBI
7(S),17(S)-diHpDHA SUBMITTER
7(S),17(S)-dihydroperoxydocosahexaenoic acid ChEBI
7S,17S-diH(P)DHA ChEBI
Citation Type Source
23471029 PubMed citation Europe PMC
Last Modified
24 January 2023