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CHEBI:133796 - (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate

ChEBI IDCHEBI:133796
ChEBI Name(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate
Stars
ASCII Name(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate
DefinitionA hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified17 February 2022
Submitterlaimo
DownloadsMolfile
FormulaC22H33O4
Net Charge-1
Average Mass361.502
Monoisotopic Mass361.23843
SMILESCCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-])OO
InChIInChI=1S/C22H34O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h5-8,11-14,16,19,21,25H,2-4,9-10,15,17-18,20H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-12-,19-16+/t21-/m0/s1
InChIKeyISPMDQHJXOPONJ-RUPKWMQGSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate (CHEBI:133796) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosapentaenoate (CHEBI:77226)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate (CHEBI:133796) is a hydroperoxydocosapentaenoate (CHEBI:157771)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate (CHEBI:133796) is conjugate base of (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid (CHEBI:136118)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoic acid (CHEBI:136118) is conjugate acid of (4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosapentaenoate (CHEBI:133796)
IUPAC Name 
(4Z,7Z,10Z,13Z,15E,17S)-17-hydroperoxydocosa-4,7,10,13,15-pentaenoate
Synonyms  Source
(17S)-HPDoPE(n-6)(1−)SUBMITTER
(17S)-HPDPA(n-6)(1−)SUBMITTER
UniProt Name  Source
(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E)-docosapentaenoateUniProt
Citations