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CHEBI:50071 - ascopyrone P

Default Structure
ChEBI IDCHEBI:50071
ChEBI Nameascopyrone P
Stars
DefinitionA 4-pyranone with a 2,3-double bond carrying a hydroxy group at position 3 and a hydroxymethyl group at position 6.
Last Modified22 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESO=C1C[C@@H](CO)OC=C1O
InChIInChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h3-4,7,9H,1-2H2/t4-/m0/s1
InChIKeyZXCYXCIWKAILMP-BYPYZUCNSA-N
ChEBI Ontology
Outgoing Relation(s)
ascopyrone P (CHEBI:50071) is a anhydrohexose (CHEBI:22557)
ascopyrone P (CHEBI:50071) is a deoxyketohexose (CHEBI:24965)
ascopyrone P (CHEBI:50071) is conjugate acid of ascopyrone P(1−) (CHEBI:58807)
Incoming Relation(s)
ascopyrone P(1−) (CHEBI:58807) is conjugate base of ascopyrone P (CHEBI:50071)
IUPAC Name 
1,5-anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose
Synonyms  Source
(2S)-5-hydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-pyran-4-oneIUPAC
APPChEBI
UniProt Name  Source
ascopyrone PUniProt
Registry NumbersSources
Reaxys:1681204Reaxys
Citations