COMPOUND: C21334
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Entry
C21334 Compound
Name
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate;
CMP-Kdo8N
Formula
C17H27N4O14P
Exact mass
542.1261
Mol weight
542.39
Structure
Mol file
KCF file
DB search
Reaction
R11396
Enzyme
2.7.7.90
Other DBs
PubChem:
319075058
ChEBI:
176918
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KCF data
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ATOM 36
1 C1z C 15.2704 -16.1053
2 O2x O 14.1314 -15.4458
3 C1x C 15.2704 -17.4158
4 O2b O 17.3606 -17.6760
5 C6a C 16.3961 -15.4458
6 C1y C 12.9943 -16.1053
7 C1y C 14.1314 -18.0924
8 P1b P 18.6782 -17.6760
9 O6a O 16.3672 -14.1410
10 O6a O 17.5222 -16.1053
11 C1y C 12.9943 -17.4158
12 O1a O 14.1373 -19.3916
13 O2b O 19.9774 -17.6760
14 O1c O 18.6782 -19.1203
15 O1c O 18.6782 -16.1572
16 C1b C 21.2892 -17.6760
17 C1y C 22.5310 -18.0637
18 O2x O 23.5883 -17.2943
19 C1y C 22.9473 -19.3055
20 C1y C 24.6625 -18.0809
21 C1y C 24.2762 -19.3055
22 O1a O 22.1962 -20.3685
23 N4y N 25.4951 -15.8907
24 O1a O 25.0444 -20.3571
25 C8y C 24.3506 -15.2269
26 C8x C 26.6384 -15.2498
27 N5x N 24.3106 -13.9152
28 O5x O 23.2247 -15.8734
29 C8x C 26.6384 -13.9209
30 C8y C 25.5009 -13.2568
31 N1a N 25.5009 -11.9507
32 C1c C 11.7992 -15.3946
33 C1b C 11.8041 -14.0220
34 N1a N 10.6177 -13.3316
35 O1a O 11.5891 -18.3734
36 O1a O 10.6007 -16.0735
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 13 16 1
16 17 16 1 #Up
17 17 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 19 22 1 #Down
22 20 23 1 #Up
23 21 24 1 #Down
24 23 25 1
25 23 26 1
26 25 27 1
27 25 28 2
28 26 29 2
29 27 30 2
30 30 31 1
31 7 11 1
32 20 21 1
33 29 30 1
34 6 32 1 #Up
35 32 33 1
36 33 34 1
37 11 35 1 #Up
38 32 36 1 #Down
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