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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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