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CHEBI:91170 - 11-sulfooxy-9,10-dihydrojasmonic acid

ChEBI IDCHEBI:91170
ChEBI Name11-sulfooxy-9,10-dihydrojasmonic acid
Stars
DefinitionA dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group.
Last Modified6 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC12H20O7S
Net Charge0
Average Mass308.352
Monoisotopic Mass308.09297
SMILESCC(CCC[C@H]1C(=O)CC[C@@H]1CC(=O)O)OS(=O)(=O)O
InChIInChI=1S/C12H20O7S/c1-8(19-20(16,17)18)3-2-4-10-9(7-12(14)15)5-6-11(10)13/h8-10H,2-7H2,1H3,(H,14,15)(H,16,17,18)/t8?,9-,10-/m1/s1
InChIKeyIDUGRYTYJSUQEL-VXRWAFEHSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
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)
11-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91170) has role plant metabolite (CHEBI:76924)
11-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91170) is a alkyl sulfate (CHEBI:29281)
11-sulfooxy-9,10-dihydrojasmonic acid (CHEBI:91170) is a dihydrojasmonic acid (CHEBI:23747)
IUPAC Name 
{(1R,2R)-3-oxo-2-[4-(sulfooxy)pentyl]cyclopentyl}acetic acid
Synonym  Source
9,10-Dihydrohydroxy-JA SulfateChEBI
Citations