COMPOUND: C21152
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Entry
C21152 Compound
Name
N,N'-Diacetylchitobiose 6'-phosphate
Formula
C16H29N2O14P
Exact mass
504.1356
Mol weight
504.38
Structure
Mol file
KCF file
DB search
Reaction
R11170
Pathway
map02060
Phosphotransferase system (PTS)
Enzyme
2.7.1.196
Other DBs
PubChem:
313369412
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KCF data
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ATOM 33
1 C1y C 16.8162 -16.2402
2 C1y C 16.8162 -17.6216
3 O2a O 18.0249 -15.5435
4 O2x O 15.6134 -15.5435
5 C1y C 15.6134 -18.3181
6 N1b N 17.8761 -18.6635
7 C1y C 19.2156 -14.8470
8 C1y C 14.4285 -16.2402
9 C1y C 14.4285 -17.6216
10 O1a O 15.6194 -19.6936
11 C1y C 19.2156 -13.4656
12 C1y C 20.4005 -15.5435
13 C1b C 13.2377 -15.5435
14 O1a O 13.2377 -18.3181
15 O2x O 20.4005 -12.7689
16 C1b C 18.0249 -12.7689
17 C1y C 21.6033 -14.8470
18 O1a O 20.4065 -16.9189
19 C1y C 21.6033 -13.4656
20 O1a O 16.9709 -13.6739
21 N1b N 22.6632 -15.8888
22 O1a O 22.8059 -12.7689
23 C5a C 19.1314 -17.9492
24 C1a C 20.3692 -18.6638
25 O5a O 19.1360 -16.5203
26 C5a C 23.9191 -15.1623
27 C1a C 25.1569 -15.8769
28 O5a O 23.9186 -13.7333
29 O2b O 13.2377 -14.1435
30 P1b P 11.8377 -14.1435
31 O1c O 11.8377 -12.7435
32 O1c O 10.4377 -14.1435
33 O1c O 11.8377 -15.5435
BOND 34
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 7 11 1
11 7 12 1
12 8 13 1 #Up
13 9 14 1 #Down
14 11 15 1
15 11 16 1 #Up
16 12 17 1
17 12 18 1 #Up
18 15 19 1
19 16 20 1
20 17 21 1 #Down
21 19 22 1 #Either
22 8 9 1
23 17 19 1
24 6 23 1
25 23 24 1
26 23 25 2
27 21 26 1
28 26 27 1
29 26 28 2
30 13 29 1
31 29 30 1
32 30 31 1
33 30 32 1
34 30 33 2
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