CHEBI:136587 - (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid

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ChEBI Name (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid ChEBI ID CHEBI:136587 ChEBI ASCII Name (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid Definition A docosanoid that is (4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. Stars This entity has been manually annotated by the ChEBI Team. 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)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h3,5-13,17-18,20-21,25-26H,2,4,14-16,19H2,1H3,(H,23,24)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13-/t20-,21?/m0/s1 InChIKey ALQAYVWWNWCFEN-KKEDPRABSA-N SMILES OC(CC/C=C\C/C=C\CC(\C=C/C=C\C=C\[C@H](C/C=C\CC)OO)OO)=O 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 (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) has role human xenobiotic metabolite (CHEBI:76967) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) is a docosanoid (CHEBI:131863) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) is a long-chain fatty acid (CHEBI:15904) (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) is conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) Incoming (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) is conjugate acid of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) IUPAC Name (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoic acid Synonyms Sources (10,17S)-DiHPDoHE ChEBI (10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid ChEBI Citation Type Source 16112640 PubMed citation Europe PMC Last Modified 24 January 2023