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CHEBI:18292 - jasmonic acid

ChEBI IDCHEBI:18292
ChEBI Namejasmonic acid
Stars
DefinitionAn oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.
Secondary ChEBI IDsCHEBI:95, CHEBI:14486, CHEBI:18487
Last Modified29 March 2021
DownloadsMolfile

FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O
InChIInChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKeyZNJFBWYDHIGLCU-HWKXXFMVSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Synonyms  Source
(-)-Jasmonic acidKEGG COMPOUND
Jasmonic acidKEGG COMPOUND
JasmonateKEGG COMPOUND
(-)-jasmonic acidChEBI
(1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acidChEBI
2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetateIUBMB
Manual XrefsDatabases
C08491KEGG COMPOUND
LMFA02020001LIPID MAPS
HMDB0032797HMDB
Jasmonic_acidWikipedia
C00000218KNApSAcK
2440BPDB
JAAPDBeChem
4444606ChemSpider
FDB015493FooDB
Registry NumbersSources
Reaxys:2692609Reaxys
CAS:6894-38-8KEGG COMPOUND
CAS:6894-38-8ChemIDplus
Citations