1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one

1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one




Chemical Formula:
C6H9O3S
Molecular Weight:
161.195 Daltons
Monoisotopic Mass:
162.03506487730002 Daltons
SMILES:
CSCCC(C([O-])=CO)=O
InChI:
1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/p-1/b6-4-
InChIKey:
CILXJJLQPTUUSS-XQRVVYSFSA-M

Synonyms
  • 1,2-dihydroxy-3-keto-5-methylthiopentene anion
  • 1,2-dihydroxy-3-keto-5-methylthiopentane
  • 1,2-dihydroxy-3-keto-5-methylthiopentene
  • acireductone
  • 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one

Databases
MetaCyc:  CPD-85
RefMet:  1,2-Dihydroxy-3-keto-5-methylthiopentene
HMDB:  HMDB12134
ChEBI:  58795
PubChem (CID):  44229177
KEGG:  C15606
Reactome:  1237155
Seed:  cpd11255
MetaNetX:  MNXM494