Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:43:04 UTC
Update Date2022-09-01 02:16:34 UTC
Metabolite IDMMDBc0049810
Metabolite Identification
Common Name11-Hydroperoxyoctadeca-9,12-Dienoic Acid
Description(11S)-11-hydroperoxylinoleate belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Based on a literature review very few articles have been published on (11S)-11-hydroperoxylinoleate.
Structure
Synonyms
ValueSource
(11S)-11-Hydroperoxylinoleate anionChEBI
(11S)-Hydroperoxy-(9Z,12Z)-octadecadienoateChEBI
(11S)-11-Hydroperoxylinoleic acid anionGenerator
(11S)-Hydroperoxy-(9Z,12Z)-octadecadienoic acidGenerator
(11S)-11-Hydroperoxylinoleic acidGenerator
Molecular FormulaC18H31O4
Average Mass311.443
Monoisotopic Mass311.222783058
IUPAC Name(9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoate
Traditional Name(11S)-11-hydroperoxylinoleate
CAS Registry NumberNot Available
SMILES
[H]OO[C@@]([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
InChI Identifier
InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/p-1/b14-11-,15-12-/t17-/m0/s1
InChI KeyPLWDMWAXENHPLY-PDBSFCERSA-M