 | | COMPOUND: C17586 | |
Entry |
|
Name |
|
Formula |
C21H41N5O12
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Exact mass |
555.2752
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Mol weight |
555.5765
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Structure |

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Reaction |
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Pathway |
map00524 | Neomycin, kanamycin and gentamicin biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 38
1 O1a O 26.0262 -20.5686
2 C1y C 27.2155 -19.8689
3 C1y C 28.4750 -20.6386
4 C1x C 29.6643 -19.9389
5 C1y C 29.6643 -18.5396
6 C1y C 28.4750 -17.8399
7 C1y C 27.2155 -18.5396
8 N1b N 28.4750 -22.0379
9 O2a O 26.0262 -17.8399
10 N1a N 30.9237 -17.8399
11 O2a O 28.4750 -16.4407
12 C1y C 29.6643 -15.7410
13 O2x O 30.8538 -16.4407
14 C1y C 32.0432 -15.7410
15 C1y C 32.0432 -14.3417
16 C1y C 30.8538 -13.6421
17 C1y C 29.6643 -14.3417
18 C1b C 33.3025 -16.4407
19 N1a N 28.4050 -13.6421
20 O1a O 30.8538 -12.2427
21 O1a O 33.2326 -13.6421
22 N1a N 33.3025 -17.8399
23 C1y C 22.8078 -19.5891
24 C1y C 24.2070 -19.5891
25 C1y C 24.6268 -18.2597
26 O2x O 23.5074 -17.4202
27 C1y C 22.3880 -18.2597
28 C1b C 21.0587 -17.8399
29 O1a O 20.0092 -18.7495
30 O1a O 21.9682 -20.7085
31 O1a O 25.0467 -20.7085
32 C5a C 29.6963 -22.7452
33 C1c C 30.9086 -22.0454
34 C1b C 32.1207 -22.7452
35 C1b C 33.3329 -22.0454
36 N1a N 34.5452 -22.7452
37 O5a O 29.6954 -24.1448
38 O1a O 30.9086 -20.6459
BOND 40
1 2 1 1 #Down
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 3 8 1 #Up
9 7 9 1 #Up
10 5 10 1 #Up
11 6 11 1 #Down
12 12 11 1 #Down
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 14 18 1 #Up
20 17 19 1 #Down
21 16 20 1 #Up
22 15 21 1 #Down
23 18 22 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 23 27 1
29 27 28 1 #Up
30 28 29 1
31 23 30 1 #Down
32 24 31 1 #Down
33 25 9 1 #Up
34 8 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 32 37 2
40 33 38 1 #Up
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