EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:50604 - 5-(methylsulfanyl)-2,3-dioxopentyl phosphate

ChEBI IDCHEBI:50604
ChEBI Name5-(methylsulfanyl)-2,3-dioxopentyl phosphate
Stars
Last Modified10 February 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H11O6PS
Net Charge0
Average Mass242.189
Monoisotopic Mass242.00140
SMILESCSCCC(=O)C(=O)COP(=O)(O)O
InChIInChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)
InChIKeyHKEAOVFNWRDVAJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is a aliphatic sulfide (CHEBI:22327)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is a oxoalkyl phosphate (CHEBI:36948)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is a α-diketone (CHEBI:51869)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is conjugate acid of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2−) (CHEBI:58828)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is tautomer of 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate (CHEBI:50605)
Incoming Relation(s)
5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2−) (CHEBI:58828) is conjugate base of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604)
2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate (CHEBI:50605) is tautomer of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604)
IUPAC Name 
5-(methylsulfanyl)-2,3-dioxopentyl dihydrogen phosphate
Synonyms  Source
1-Phospho-2,3-diketo-5-S-methylthiopentaneChemIDplus
5-methylthio-1-(phosphonooxy)pentane-2,3-dioneChEBI
2,3-diketo-5-methylthio-1-phosphopentaneChEBI
2,3-Diketo-5-methylthiopentyl-1-phosphateKEGG COMPOUND
5-(Methylthio)-2,3-dioxopentyl phosphateKEGG COMPOUND
Manual XrefsDatabases
C15650KEGG COMPOUND
Registry NumbersSources
CAS:115974-73-7ChemIDplus