COMPOUND: C19822
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Entry
C19822 Compound
Name
1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose;
Ascopyrone M
Formula
C6H8O4
Exact mass
144.0423
Mol weight
144.13
Structure
Mol file
KCF file
DB search
Reaction
R09694
R09695
R09705
Enzyme
4.2.1.110
4.2.1.111
5.3.2.7
Other DBs
PubChem:
135626289
PDB-CCD:
AY9
[
PDBj
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KCF data
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ATOM 10
1 C1y C 8.4668 -20.1573
2 C2x C 8.4668 -21.5572
3 C2y C 9.6790 -22.2571
4 C5x C 10.8914 -21.5572
5 C1x C 10.8914 -20.1573
6 O2x O 9.6790 -19.4575
7 O5x O 12.1223 -22.2681
8 O1a O 9.6790 -23.6567
9 C1b C 7.2545 -19.4575
10 O1a O 6.0592 -20.1477
BOND 10
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 3 8 1
9 1 9 1 #Up
10 9 10 1
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