COMPOUND: C19784
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Entry
C19784 Compound
Name
1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol;
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol;
1-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol
Formula
C14H25NO11
Exact mass
383.1428
Mol weight
383.35
Structure
Mol file
KCF file
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Reaction
R09651
R12125
Enzyme
3.1.3.-
3.5.1.103
Other DBs
PubChem:
135626251
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KCF data
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ATOM 26
1 C1y C 22.6959 -17.0069
2 C1y C 23.9068 -17.7109
3 C1y C 25.1193 -17.0097
4 C1y C 25.1208 -15.6117
5 C1y C 23.9102 -14.9149
6 C1y C 22.6976 -15.6088
7 C1y C 17.8529 -18.4148
8 C1y C 17.8529 -19.8157
9 C1y C 19.0699 -20.5196
10 C1y C 20.2798 -19.8157
11 C1y C 20.2798 -18.4148
12 O2x O 19.0699 -17.7178
13 O2a O 21.4875 -17.7188
14 N1b N 21.4875 -20.5186
15 O1a O 16.6391 -20.5201
16 C1b C 16.6391 -17.7173
17 O1a O 19.0717 -21.9204
18 O1a O 15.4172 -18.4008
19 O1a O 23.9119 -13.5142
20 O1a O 26.3325 -17.7151
21 O1a O 23.9051 -19.1116
22 O1a O 21.4845 -14.9107
23 O1a O 26.3359 -14.9164
24 C5a C 22.7080 -19.8198
25 C1a C 23.8927 -20.5095
26 O5a O 22.7133 -18.4104
BOND 27
1 7 16 1 #Up
2 3 4 1
3 9 17 1 #Up
4 4 5 1
5 16 18 1
6 1 13 1 #Up
7 5 6 1
8 5 19 1 #Up
9 7 8 1
10 3 20 1 #Up
11 8 9 1
12 2 21 1 #Up
13 9 10 1
14 6 22 1 #Down
15 10 11 1
16 4 23 1 #Down
17 11 12 1
18 12 7 1
19 6 1 1
20 11 13 1 #Down
21 10 14 1 #Down
22 1 2 1
23 8 15 1 #Down
24 2 3 1
25 14 24 1
26 24 25 1
27 24 26 2
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