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ChEBI
> Main
CHEBI:50070 - ascopyrone M
Main
ChEBI Ontology
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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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Molfile
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
(6
S
)-4-hydroxy-6-(hydroxymethyl)-2
H
-pyran-3(6
H
)-one
IUPAC
APM
ChEBI
ascopyrone M
UniProt
Registry Number
Type
Source
9322153
Reaxys Registry Number
Reaxys
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.