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

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ChEBI Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate
ChEBI ID CHEBI:133991
ChEBI ASCII Name (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate
Definition An octadecanoid anion 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C18H29O6
Net Charge -1
Average Mass 341.420
Monoisotopic Mass 341.19696
InChI InChI=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
InChIKey MFVHQYMRUDEPIO-NYOLHIHQSA-M
SMILES C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)([O-])=O
ChEBI Ontology
Outgoing (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a hydroperoxy fatty acid anion (CHEBI:64012)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a lipid hydroperoxide (CHEBI:61051)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a long-chain fatty acid anion (CHEBI:57560)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a octadecanoid anion (CHEBI:131860)
(9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate (CHEBI:133991) is a polyunsaturated fatty acid anion (CHEBI:76567)
(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 (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 Sources
(10E,12Z,14E)-(9S,16S)-9,16-dihydroperoxyoctadeca-10,12,14-trienoate SUBMITTER
(9S,16S)-dihydroperoxy-(10E,12Z,14E)-octadecatrienoate UniProt
9S,16S-DiHPOTrE (1−) SUBMITTER
Citation Waiting for Citations Type Source
26264916 PubMed citation SUBMITTER
Last Modified
21 March 2017