COMPOUND: C04458
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Entry
C04458 Compound
Name
Dihydrostreptomycin 6,3''-bis-phosphate
Formula
C21H43N7O18P2
Exact mass
743.214
Mol weight
743.5497
Structure
Mol file
KCF file
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Other DBs
PubChem:
7084
ChEBI:
28333
NIKKAJI:
J2.751.154F
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KCF data
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ATOM 48
1 C1y C 22.8863 -23.2887
2 C1y C 23.2908 -22.0302
3 O2a O 24.8063 -25.6711
4 C1z C 21.5634 -23.2887
5 O2a O 24.5109 -20.9770
6 O2x O 22.2184 -21.2660
7 C1y C 24.0357 -27.8543
8 C1y C 21.1653 -22.0302
9 C1b C 20.2599 -23.8154
10 O1a O 21.2038 -24.5537
11 C1y C 24.5173 -19.6734
12 C1y C 24.7100 -28.9974
13 O2x O 22.7128 -27.8737
14 C1a C 19.9194 -21.6192
15 O1a O 19.2260 -23.0062
16 C1y C 23.3808 -19.0056
17 C1y C 25.6668 -19.0056
18 C1y C 24.0549 -30.1598
19 N1b N 26.4886 -28.7728
20 C1y C 22.0644 -29.0167
21 C1y C 23.3808 -17.6764
22 N1b N 21.6488 -19.7185
23 C1y C 25.6668 -17.6764
24 O1a O 26.8033 -19.6542
25 C1y C 22.7385 -30.1598
26 O2b O 24.7229 -31.2899
27 C1a C 27.8501 -27.7709
28 C1b C 20.7543 -29.0296
29 C1y C 24.5173 -17.0214
30 O1a O 22.4303 -16.6298
31 C2c C 20.5186 -19.0570
32 O2b O 27.5380 -17.1242
33 O1a O 22.0901 -31.2963
34 P1b P 26.0327 -31.2899
35 O1a O 20.0094 -28.0985
36 N1b N 24.5109 -15.7115
37 N1a N 20.5251 -17.7471
38 N2a N 19.3821 -19.7056
39 P1b P 28.8479 -17.1242
40 O1c O 27.3428 -31.2899
41 O1c O 26.0327 -29.9735
42 O1c O 26.0327 -32.5998
43 C2c C 25.6475 -15.0501
44 O1c O 30.1580 -17.1242
45 O1c O 28.8544 -15.8721
46 O1c O 28.8479 -18.4341
47 N1a N 26.5337 -15.6022
48 N2a N 25.6411 -13.7400
BOND 50
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 2 5 1 #Up
5 2 6 1
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Up
9 4 10 1
10 11 5 1 #Down
11 7 12 1
12 7 13 1
13 8 14 1 #Down
14 9 15 1
15 11 16 1
16 11 17 1
17 12 18 1
18 12 19 1 #Up
19 13 20 1
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 17 24 1 #Up
24 18 25 1
25 18 26 1 #Down
26 19 27 1
27 20 28 1 #Down
28 21 29 1
29 21 30 1 #Down
30 22 31 1
31 23 32 1 #Down
32 25 33 1 #Up
33 26 34 1
34 28 35 1
35 29 36 1 #Up
36 31 37 1
37 31 38 2
38 32 39 1
39 34 40 1
40 34 41 1
41 34 42 2
42 36 43 1
43 39 44 1
44 39 45 1
45 39 46 2
46 43 47 1
47 43 48 2
48 6 8 1
49 20 25 1
50 23 29 1
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