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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-(methylsulfanyl)-2,3-dioxopentyl phosphate
ChEBI ID CHEBI:50604
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H11O6PS
Net Charge 0
Average Mass 242.18770
Monoisotopic Mass 242.00140
InChI InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)
InChIKey HKEAOVFNWRDVAJ-UHFFFAOYSA-N
SMILES CSCCC(=O)C(=O)COP(O)(O)=O
ChEBI Ontology
Outgoing 5-(methylsulfanyl)-2,3-dioxopentyl phosphate (CHEBI:50604) is a α-diketone (CHEBI:51869)
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 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 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 Sources
1-Phospho-2,3-diketo-5-S-methylthiopentane ChemIDplus
2,3-diketo-5-methylthio-1-phosphopentane ChEBI
2,3-Diketo-5-methylthiopentyl-1-phosphate KEGG COMPOUND
5-(Methylthio)-2,3-dioxopentyl phosphate KEGG COMPOUND
5-methylthio-1-(phosphonooxy)pentane-2,3-dione ChEBI
Manual Xref Database
C15650 KEGG COMPOUND
View more database links
Registry Number Type Source
115974-73-7 CAS Registry Number ChemIDplus
Last Modified
10 February 2009