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CHEBI:91169 - 12-sulfooxy-9,10-dihydrojasmonic acid

ChEBI IDCHEBI:91169
ChEBI Name12-sulfooxy-9,10-dihydrojasmonic acid
Stars
DefinitionA dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group.
Last Modified6 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H20O7S
Net Charge0
Average Mass308.352
Monoisotopic Mass308.09297
SMILESO=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCOS(=O)(=O)O
InChIInChI=1S/C12H20O7S/c13-11-6-5-9(8-12(14)15)10(11)4-2-1-3-7-19-20(16,17)18/h9-10H,1-8H2,(H,14,15)(H,16,17,18)/t9-,10-/m1/s1
InChIKeyCJUJDLFIAYZPPV-NXEZZACHSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) MetaboLights (MTBLS160)
root (BTO:0001188) PubMed (25457500)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
jasmonates  The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
ChEBI Ontology
Outgoing Relation(s)
12-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91169) has role plant metabolite (CHEBI:76924)
12-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91169) is a alkyl sulfate (CHEBI:29281)
12-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91169) is a dihydrojasmonic acid (CHEBI:23747)
IUPAC Name 
{(1R,2R)-3-oxo-2-[5-(sulfooxy)pentyl]cyclopentyl}acetic acid
Synonym  Source
9,10-Dihydrohydroxy-JA SulfateChEBI