Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:33:45 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054751
Metabolite Identification
Common Name(11R)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
DescriptionBased on a literature review very few articles have been published on CHEBI:133989.
Structure
Synonyms
ValueSource
(11R)-Hydroperoxy-(9Z,12Z,15Z)-octadecatrienoateChEBI
(11R)-Hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acidGenerator
Molecular FormulaC18H29O4
Average Mass309.427
Monoisotopic Mass309.207132994
IUPAC Name(9Z,11R,12Z,15Z)-11-hydroperoxyoctadeca-9,12,15-trienoate
Traditional Name(9Z,11R,12Z,15Z)-11-hydroperoxyoctadeca-9,12,15-trienoate
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])C\C([H])=C(\[H])[C@]([H])(OO)C(\[H])=C(\[H])CCCCCCCC([O-])=O
InChI Identifier
InChI=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-/m0/s1
InChI KeyRYAKCZURVOCRAI-JZTOSSBESA-M