Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:28:11 UTC
Update Date2024-04-30 19:55:26 UTC
Metabolite IDMMDBc0032940
Metabolite Identification
Common Name1,2-Dihydroxy-3-keto-5-methylthiopentene
DescriptionAt physiological pH, this molecule, 1,2-dihydroxy-3-keto-5-methylthiopentene, is a monoanion, 1,2-dihydroxy-3-keto-5-methylthiopentene anion. 1,2-dihydroxy-3-keto-5-methylthiopentene anion, an aci-reductone, is believed to be an unstable intermediate in the methionine salvage pathway in Klebsiella pneumoniae. (MetaCyc).
Structure
SynonymsNot Available
Molecular FormulaC6H10O3S
Average Mass162.2
Monoisotopic Mass162.035065356
IUPAC Name1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
Traditional Name1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
CAS Registry Number746507-19-7
SMILES
[H]OC([H])=C(O[H])C(=O)C([H])([H])C([H])([H])SC([H])([H])[H]
InChI Identifier
InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3
InChI KeyCILXJJLQPTUUSS-UHFFFAOYSA-N