COMPOUND: C04461
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Entry
C04461 Compound
Name
N-Acetyl-D-glucosamine 1,6-bisphosphate;
N-Acetyl-alpha-D-glucosamine 1,6-bisphosphate
Formula
C8H17NO12P2
Exact mass
381.0226
Mol weight
381.1676
Structure
Mol file
KCF file
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Other DBs
PubChem:
7086
ChEBI:
27465
NIKKAJI:
J2.751.155D
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KCF data
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ATOM 23
1 C1y C 28.6008 -21.3739
2 C1y C 28.6008 -22.7765
3 O2x O 27.3830 -20.6787
4 O2b O 29.7996 -20.6787
5 C1y C 27.3830 -23.4844
6 N1b N 29.8352 -23.6311
7 C1y C 26.1842 -21.3739
8 P1b P 29.7996 -19.2887
9 C1y C 26.1842 -22.7765
10 O1a O 27.3830 -24.8744
11 C5a C 31.4574 -22.9360
12 C1b C 24.9791 -20.6787
13 O1c O 28.4095 -19.2887
14 O1c O 31.1831 -19.2822
15 O1c O 29.7996 -17.8987
16 O1a O 24.9791 -23.4652
17 C1a C 32.6562 -23.6311
18 O5a O 31.4511 -21.5459
19 O2b O 24.4273 -19.7184
20 P1b P 23.0372 -19.7249
21 O1c O 23.0436 -21.1149
22 O1c O 21.6534 -19.7249
23 O1c O 23.0372 -18.3412
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Down
16 11 17 1
17 11 18 2
18 12 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 7 9 1
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