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CHEBI:133949 - (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate

ChEBI IDCHEBI:133949
ChEBI Name(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate
Stars
ASCII Name(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate
DefinitionA hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified18 February 2022
Submitterlaimo
DownloadsMolfile
FormulaC22H33O6
Net Charge-1
Average Mass393.500
Monoisotopic Mass393.22826
SMILESCCCCC[C@@H](/C=C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)[O-])OO)OO
InChIInChI=1S/C22H34O6/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/h5-9,11-13,17-18,20-21,25-26H,2-4,10,14-16,19H2,1H3,(H,23,24)/p-1/b7-5-,9-8-,11-6-,17-12+,18-13-/t20-,21?/m0/s1
InChIKeyOBXRYBLVMCAPKM-WRMGERKZSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate (CHEBI:77226)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949) is a hydroperoxydocosapentaenoate (CHEBI:157771)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949) is conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594)
Incoming Relation(s)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is conjugate acid of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949)
IUPAC Name 
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15-pentaenoate
Synonyms  Source
(10,17S)-bis(hydroperoxy)-(4Z,7Z,11Z,13Z,15E)-docosapentaenoateChEBI
(10,17S)-DiHPDoPEn-6(1−)ChEBI
UniProt Name  Source
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E)-docosapentaenoateUniProt
Citations