COMPOUND: C04660
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Entry
C04660 Compound
Name
3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate
Formula
C21H43N7O17P2
Exact mass
727.2191
Mol weight
727.5503
Structure
Mol file
KCF file
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Other DBs
PubChem:
7244
ChEBI:
27944
NIKKAJI:
J2.752.790F
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KCF data
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ATOM 47
1 C1y C 29.6119 -21.0463
2 C1y C 30.0202 -19.7972
3 C1y C 28.3023 -21.0463
4 O2a O 31.2875 -22.1457
5 O2a O 31.5519 -18.4397
6 O2x O 28.9512 -19.0344
7 C1y C 27.9061 -19.7972
8 C1b C 26.9992 -21.7732
9 C1y C 30.2064 -24.2177
10 C1y C 31.5218 -16.8179
11 C1a C 26.6627 -19.3887
12 O1a O 25.8758 -21.1064
13 C1y C 30.2064 -25.5390
14 O2x O 29.0591 -23.5632
15 C1y C 30.3925 -16.1513
16 C1y C 32.6690 -16.1513
17 C1y C 29.0591 -26.2058
18 C1y C 27.9300 -24.2177
19 C1y C 30.3925 -14.8299
20 N1b N 28.5668 -16.9680
21 C1y C 32.6690 -14.8299
22 O1a O 33.7982 -16.8000
23 C1y C 27.9300 -25.5390
24 O2b O 29.0591 -27.5152
25 C1b C 26.8009 -23.5632
26 C1y C 31.5218 -14.1751
27 O1a O 29.4783 -14.0989
28 C2c C 27.4375 -16.3134
29 O2b O 33.7982 -14.1692
30 O1a O 26.7947 -26.1879
31 O1a O 25.6656 -24.2177
32 N1b N 31.5158 -12.8658
33 N1a N 26.3024 -16.9620
34 N2a N 27.4435 -15.0042
35 C2c C 30.3867 -12.2171
36 N2a N 30.3806 -10.9138
37 N1a N 29.2574 -12.8718
38 N1b N 31.4107 -26.2321
39 C1a C 32.6173 -25.5329
40 P1b P 35.1950 -14.1692
41 O1c O 36.5919 -14.1692
42 O1c O 35.1950 -15.5661
43 O1c O 35.1950 -12.7724
44 P1b P 29.0591 -28.9152
45 O1c O 30.4591 -28.9152
46 O1c O 27.6591 -28.9152
47 O1c O 29.0591 -30.3152
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 24 44 1
47 44 45 1
48 44 46 1
49 44 47 2
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