CHEBI:49252 - 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one
ChEBI ID CHEBI:49252
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C6H10O3S
Net Charge 0
Average Mass 162.20780
Monoisotopic Mass 162.03507
InChI InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-
InChIKey CILXJJLQPTUUSS-XQRVVYSFSA-N
SMILES CSCCC(=O)C(\O)=C\O
ChEBI Ontology
Outgoing 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one (CHEBI:49252) is a aliphatic sulfide (CHEBI:22327)
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one (CHEBI:49252) is a enone (CHEBI:51689)
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one (CHEBI:49252) is a methyl sulfide (CHEBI:86315)
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one (CHEBI:49252) is conjugate acid of 1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate (CHEBI:58795)
Incoming 1-hydroxy-5-(methylthio)-3-oxopent-1-en-2-olate (CHEBI:58795) is conjugate base of 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one (CHEBI:49252)
IUPAC Name
1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one
Synonym Source
1,2-dihydroxy-5-(methylsulfanyl)pent-1-en-3-one UniProt
Manual Xref Database
C15606 KEGG COMPOUND
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Last Modified
20 July 2018