COMPOUND: C22713
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Entry
C22713 Compound
Name
4-Deoxy-L-erythro-hex-4-enopyranuronate;
4,5-Unsaturated D-mannuronate;
4,5-Unsaturated L-guluronate
Formula
C6H8O6
Exact mass
176.0321
Mol weight
176.1241
Structure
Mol file
KCF file
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Reaction
R13197
Enzyme
4.2.99.25
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PDB-CCD:
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KCF data
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ATOM 12
1 C2y C 18.0181 -15.2908
2 C2x C 18.0181 -16.6936
3 C1y C 19.2105 -17.3950
4 C1y C 20.4730 -16.6936
5 C1y C 20.4730 -15.2908
6 O2x O 19.2105 -14.5894
7 O1a O 19.2105 -18.7978
8 O1a O 21.6654 -17.3950
9 O1a O 21.6654 -14.5894
10 C6a C 16.8258 -14.5894
11 O6a O 15.6334 -15.2908
12 O6a O 16.8258 -13.1866
BOND 12
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1 #Up
8 4 8 1 #Up
9 5 9 1 #Either
10 1 10 1
11 10 11 1
12 10 12 2
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