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CHEBI:134110 - (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate

ChEBI IDCHEBI:134110
ChEBI Name(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate
Stars
ASCII Name(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate
DefinitionA hydroperoxyoctadecatrienoate obtained by deprotonation of the carboxylic acid group of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid. Major microspecies at pH 7.3.
Last Modified31 March 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H29O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILESCC/C=C\C/C=C\[C@H](/C=C\CCCCCCCC(=O)[O-])OO
InChIInChI=1S/C18H30O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h3-4,11-12,14-15,17,21H,2,5-10,13,16H2,1H3,(H,19,20)/p-1/b4-3-,14-11-,15-12-/t17-/m1/s1
InChIKeyRYAKCZURVOCRAI-TYAFUOHSSA-M
ChEBI Ontology
Outgoing Relation(s)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110) has functional parent α-linolenate (CHEBI:32387)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110) is a hydroperoxyoctadecatrienoate (CHEBI:133558)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110) is conjugate base of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110) is enantiomer of (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:133989)
Incoming Relation(s)
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid (CHEBI:136686) is conjugate acid of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110)
(9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:133989) is enantiomer of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoate (CHEBI:134110)
IUPAC Name 
(9Z,11S,12Z,15Z)-11-hydroperoxyoctadeca-9,12,15-trienoate
Synonyms  Source
11(S)-HPOTE(1−)SUBMITTER
11(S)-HPOTrE(1−)ChEBI
UniProt Name  Source
(11S)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoateUniProt