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CHEBI:133948 - (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate

ChEBI IDCHEBI:133948
ChEBI Name(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate
Stars
ASCII Name(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate
DefinitionA docosanoid anion that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified20 March 2017
Submitterlaimo
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\C/C=C\CCC(=O)[O-])OO)OO
InChIInChI=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)/p-1/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13-/t20-,21?/m0/s1
InChIKeyALQAYVWWNWCFEN-KKEDPRABSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) has functional parent (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate (CHEBI:77016)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) is a docosanoid anion (CHEBI:131864)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) is a long-chain fatty acid anion (CHEBI:57560)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948) is conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587)
Incoming Relation(s)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid (CHEBI:136587) is conjugate acid of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate (CHEBI:133948)
IUPAC Name 
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoate
Synonyms  Source
(10,17S)-DiHPDoHE(1−)ChEBI
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoateSUBMITTER
UniProt Name  Source
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoateUniProt
Citations