CHEBI:50070 - ascopyrone M

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ChEBI Name ascopyrone M
ChEBI ID CHEBI:50070
Definition A 3-pyranone with a 4,5-double bond carrying a hydroxy group at position 4 and a hydroxymethyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H8O4
Net Charge 0
Average Mass 144.126
Monoisotopic Mass 144.04226
InChI InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1
InChIKey XUKJGZOHRVCEJL-BYPYZUCNSA-N
SMILES C=1[C@H](OCC(C1O)=O)CO
ChEBI Ontology
Outgoing 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 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 Sources
(6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one IUPAC
APM ChEBI
ascopyrone M UniProt
Registry Numbers Types Sources
9322153 Reaxys Registry Number Reaxys
9322153 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
16302767 PubMed citation Europe PMC
16630602 PubMed citation Europe PMC
Last Modified
11 May 2016
General Comment
2011-01-10 An intermediate in the anhydrofructose pathway.