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 A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
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 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 (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
Wennman A, Jernerén F, Magnuson A, Oliw EH (2015)
Expression and characterization of manganese lipoxygenase of the rice blast fungus reveals prominent sequential lipoxygenation of α-linolenic acid.
Archives of biochemistry and biophysics 583, 87-95 (Source: SUBMITTER) [PubMed:26264916]
[show Abstract]
Last Modified
17 February 2022