Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:42:55 UTC
Update Date2024-04-30 20:38:55 UTC
Metabolite IDMMDBc0049802
Metabolite Identification
Common Name9(S)-HPODE
Description(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecadienoate, also known as (10E,12Z)-(9S)-9-hydroperoxyoctadeca-10,12-dienoic acid or 9(S)-HPOD, 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 (9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecadienoate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Synonyms
ValueSource
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acidChEBI
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acidChEBI
9(S)-HPODChEBI
(9S,10E,12Z)-9-Hydroperoxy-10,12-octadecadienoateKegg
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoateGenerator
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecadienoic acidGenerator
9-Hydroperoxy-11,12-octadecadienoic acidMeSH, HMDB
9-Hydroperoxy-11,12-octadecadienoic acid, (e,Z)-isomerMeSH, HMDB
9-Hydroperoxy-11,12-octadecadienoic acid, (Z,e)-isomerMeSH, HMDB
9-HPODEMeSH, HMDB
Molecular FormulaC18H32O4
Average Mass312.45
Monoisotopic Mass312.23005951
IUPAC Name(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Traditional Name9-HpODE
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])[C@]([H])(CCCCCCCC(O)=O)OO
InChI Identifier
InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1
InChI KeyJGUNZIWGNMQSBM-UINYOVNOSA-N