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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12-sulfooxy-9,10-dihydrojasmonic acid
ChEBI ID CHEBI:91169
Definition A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H20O7S
Net Charge 0
Average Mass 308.350
Monoisotopic Mass 308.09297
InChI InChI=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
InChIKey CJUJDLFIAYZPPV-NXEZZACHSA-N
SMILES C(=O)(O)C[C@@H]1[C@H](C(CC1)=O)CCCCCOS(O)(=O)=O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: MetaboLights Study
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via dihydrojasmonic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sulfate ChEBI
Last Modified
06 July 2016