Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 05:26:39 UTC
Update Date2022-08-31 06:37:37 UTC
Metabolite IDMMDBc0014412
Metabolite Identification
Common Name(-)-8-hydroxyjasmonic acid
Description(-)-8-hydroxyjasmonic acid belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety (-)-8-hydroxyjasmonic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
(-)-8-HydroxyjasmonateGenerator
Molecular FormulaC12H18O4
Average Mass226.272
Monoisotopic Mass226.12050906
IUPAC Name2-[(1R,2S)-2-[(2Z)-1-hydroxypent-2-en-1-yl]-3-oxocyclopentyl]acetic acid
Traditional Name[(1R,2S)-2-[(2Z)-1-hydroxypent-2-en-1-yl]-3-oxocyclopentyl]acetic acid
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])C([H])(O)[C@@]1([H])C(=O)CC[C@]1([H])CC(O)=O
InChI Identifier
InChI=1S/C12H18O4/c1-2-3-4-9(13)12-8(7-11(15)16)5-6-10(12)14/h3-4,8-9,12-13H,2,5-7H2,1H3,(H,15,16)/b4-3-/t8-,9?,12+/m1/s1
InChI KeyIQGLAWZCMQYBPA-DMCHNEJWSA-N