COMPOUND: C04709
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Entry
C04709 Compound
Name
3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate
Formula
C21H43N7O17P2
Exact mass
727.2191
Mol weight
727.5503
Structure
Mol file
KCF file
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Other DBs
PubChem:
7282
ChEBI:
27553
NIKKAJI:
J2.753.083D
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KCF data
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ATOM 47
1 C1y C 29.9619 -21.1863
2 C1y C 30.3702 -19.9372
3 C1y C 28.6523 -21.1863
4 O2a O 31.6375 -22.2857
5 O2a O 31.9019 -18.5797
6 O2x O 29.3012 -19.1744
7 C1y C 28.2561 -19.9372
8 C1b C 27.3492 -21.9132
9 C1y C 30.5564 -24.3577
10 C1y C 31.8718 -16.9579
11 C1a C 27.0127 -19.5287
12 O2b O 26.2258 -21.2464
13 C1y C 30.5564 -25.6790
14 O2x O 29.4091 -23.7032
15 C1y C 30.7425 -16.2913
16 C1y C 33.0190 -16.2913
17 C1y C 29.4091 -26.3458
18 C1y C 28.2800 -24.3577
19 C1y C 30.7425 -14.9699
20 N1b N 28.9168 -17.1080
21 C1y C 33.0190 -14.9699
22 O1a O 34.1482 -16.9400
23 C1y C 28.2800 -25.6790
24 O1a O 29.4091 -27.6552
25 C1b C 27.1509 -23.7032
26 C1y C 31.8718 -14.3151
27 O1a O 29.8283 -14.2389
28 C2c C 27.7875 -16.4534
29 O2b O 34.1482 -14.3092
30 O1a O 27.1447 -26.3279
31 O1a O 26.0156 -24.3577
32 N1b N 31.8658 -13.0058
33 N1a N 26.6524 -17.1020
34 N2a N 27.7935 -15.1442
35 C2c C 30.7367 -12.3571
36 N2a N 30.7306 -11.0538
37 N1a N 29.6074 -13.0118
38 N1b N 31.7607 -26.3721
39 C1a C 32.9673 -25.6729
40 P1b P 35.5450 -14.3092
41 O1c O 36.9419 -14.3092
42 O1c O 35.5450 -15.7061
43 O1c O 35.5450 -12.9124
44 P1b P 24.8258 -21.2464
45 O1c O 23.4258 -21.2464
46 O1c O 24.8258 -19.8464
47 O1c O 24.8258 -22.6464
BOND 49
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 10 5 1 #Down
10 7 11 1 #Down
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 13 17 1
17 14 18 1
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 17 24 1 #Down
24 18 25 1 #Down
25 19 26 1
26 19 27 1 #Down
27 20 28 1
28 21 29 1 #Down
29 23 30 1 #Up
30 25 31 1
31 26 32 1 #Up
32 28 33 1
33 28 34 2
34 32 35 1
35 35 36 2
36 35 37 1
37 6 7 1
38 18 23 1
39 21 26 1
40 13 38 1 #Up
41 38 39 1
42 29 40 1
43 40 41 1
44 40 42 1
45 40 43 2
46 12 44 1
47 44 45 1
48 44 46 2
49 44 47 1
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