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CHEBI:50070 - ascopyrone M

ChEBI IDCHEBI:50070
ChEBI Nameascopyrone M
Stars
DefinitionA 3-pyranone with a 4,5-double bond carrying a hydroxy group at position 4 and a hydroxymethyl group at position 6.
Last Modified11 May 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESO=C1CO[C@H](CO)C=C1O
InChIInChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
InChIKeyXUKJGZOHRVCEJL-BYPYZUCNSA-N
ChEBI Ontology
Outgoing Relation(s)
ascopyrone M (CHEBI:50070) is a 3-pyrones (CHEBI:131907)
ascopyrone M (CHEBI:50070) is a anhydrohexose (CHEBI:22557)
ascopyrone M (CHEBI:50070) is a deoxyketohexose (CHEBI:24965)
ascopyrone M (CHEBI:50070) is conjugate acid of ascopyrone M(1−) (CHEBI:58806)
Incoming Relation(s)
ascopyrone M(1−) (CHEBI:58806) is conjugate base of ascopyrone M (CHEBI:50070)
IUPAC Name 
1,5-anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Synonyms  Source
(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-oneIUPAC
APMChEBI
UniProt Name  Source
ascopyrone MUniProt
Registry NumbersSources
Reaxys:9322153Reaxys
Citations