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CHEBI:136811 - 12-sulfojasmonate

ChEBI IDCHEBI:136811
ChEBI Name12-sulfojasmonate
Stars
DefinitionA 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 12-sulfojasmonic acid. Major species at pH 7.3
Last Modified5 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H16O7S
Net Charge-2
Average Mass304.320
Monoisotopic Mass304.06277
SMILESO=C([O-])CC1CCC(=O)C1C/C=C\CCOS(=O)(=O)[O-]
InChIInChI=1S/C12H18O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h1-2,9-10H,3-8H2,(H,14,15)(H,16,17,18)/p-2/b2-1-
InChIKeyMLUJBNROAVANKK-UPHRSURJSA-L
ChEBI Ontology
Outgoing Relation(s)
12-sulfojasmonate (CHEBI:136811) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
12-sulfojasmonate (CHEBI:136811) is a organosulfate oxoanion (CHEBI:58958)
IUPAC Name 
{3-oxo-2-[(2Z)-5-(sulfonatooxy)pent-2-en-1-yl]cyclopentyl}acetate
UniProt Name  Source
a 12-sulfojasmonateUniProt
Manual XrefsDatabases
12-Hydroxyjasmonate-SulfatesMetaCyc
Citations