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CHEBI:133991 - (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate

ChEBI IDCHEBI:133991
ChEBI Name(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate
Stars
ASCII Name(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate
DefinitionA hydroperoxyoctadecatrienoate that is the conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified17 February 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H29O6
Net Charge-1
Average Mass341.424
Monoisotopic Mass341.19696
SMILESCC[C@@H](/C=C/C=C\C=C\[C@H](CCCCCCCC(=O)[O-])OO)OO
InChIInChI=1S/C18H30O6/c1-2-16(23-21)12-8-6-7-10-14-17(24-22)13-9-4-3-5-11-15-18(19)20/h6-8,10,12,14,16-17,21-22H,2-5,9,11,13,15H2,1H3,(H,19,20)/p-1/b7-6-,12-8+,14-10+/t16-,17-/m0/s1
InChIKeyMFVHQYMRUDEPIO-NYOLHIHQSA-M
ChEBI Ontology
Outgoing Relation(s)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a hydroperoxyoctadecatrienoate (CHEBI:133558)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990)
Incoming Relation(s)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid (CHEBI:133990) is conjugate acid of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991)
IUPAC Name 
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadeca-10,12,14-trienoate
Synonyms  Source
9S,16S-DiHPOTrE(1−)SUBMITTER
(10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoateSUBMITTER
UniProt Name  Source
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoateUniProt
Citations