COMPOUND: C21091
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Entry
C21091 Compound
Name
(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate;
3-Deoxy-D-threo-hex-2-ulosarate
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Mol file
KCF file
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Reaction
R11077
Enzyme
4.2.1.158
Other DBs
PubChem:
310920472
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KCF data
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ATOM 13
1 O6a O 14.4362 -16.5378
2 C6a C 15.6486 -15.8400
3 C1c C 16.8609 -16.5378
4 C1c C 18.0734 -15.8400
5 C1b C 19.2858 -16.5378
6 C5a C 20.4912 -15.8400
7 C6a C 21.7035 -16.5378
8 O6a O 22.9159 -15.8400
9 O6a O 15.6486 -14.4372
10 O5a O 20.4912 -14.4372
11 O6a O 21.7035 -17.9406
12 O1a O 16.8609 -17.9406
13 O1a O 18.0734 -14.4372
BOND 12
1 6 7 1
2 3 4 1
3 7 8 1
4 2 9 2
5 4 5 1
6 6 10 2
7 2 3 1
8 7 11 2
9 5 6 1
10 3 12 1 #Down
11 1 2 1
12 4 13 1 #Down
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