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CHEBI:140349 - (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate

ChEBI IDCHEBI:140349
ChEBI Name(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate
Stars
ASCII Name(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate
DefinitionA docosanoid anion that is the conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified14 July 2020
SubmitterSteve
DownloadsMolfile
FormulaC22H31O6
Net Charge-1
Average Mass391.484
Monoisotopic Mass391.21261
SMILESCC/C=C\C[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CCC(=O)[O-])OO)OO
InChIInChI=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)/p-1/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKeyNQUUEKCCEOGKDL-XGTWDWJNSA-M
ChEBI Ontology
Outgoing Relation(s)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate (CHEBI:140349) is a docosanoid anion (CHEBI:131864)
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate (CHEBI:140349) is a long-chain fatty acid anion (CHEBI:57560)
(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)
Incoming Relation(s)
(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)
Synonyms  Source
7S,17S-diH(P)DHA(1−)ChEBI
7(S),17(S)-dihydroperoxydocosahexaenoateChEBI
7(S),17(S)-diHpDHA(1−)ChEBI
(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosahexaenoateChEBI
UniProt Name  Source
(7S,17S)-dihydroperoxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoateUniProt