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CHEBI:136182 - tuberonate

ChEBI IDCHEBI:136182
ChEBI Nametuberonate
Stars
DefinitionA 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified15 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H17O4
Net Charge-1
Average Mass225.264
Monoisotopic Mass225.11323
SMILESO=C([O-])C[C@H]1CCC(=O)[C@H]1C/C=C\CCO
InChIInChI=1S/C12H18O4/c13-7-3-1-2-4-10-9(8-12(15)16)5-6-11(10)14/h1-2,9-10,13H,3-8H2,(H,15,16)/p-1/b2-1-/t9-,10+/m1/s1
InChIKeyRZGFUGXQKMEMOO-SZXTZRQCSA-M
ChEBI Ontology
Outgoing Relation(s)
tuberonate (CHEBI:136182) is a 5-oxo monocarboxylic acid anion (CHEBI:35975)
tuberonate (CHEBI:136182) is conjugate base of tuberonic acid (CHEBI:133220)
Incoming Relation(s)
tuberonic acid (CHEBI:133220) is conjugate acid of tuberonate (CHEBI:136182)
IUPAC Name 
{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
Synonym  Source
(+)-12-hydroxy-7-isojasmonateSUBMITTER
UniProt Name  Source
tuberonateUniProt