 | | COMPOUND: C21251 | |
| Entry |
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| Name |
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| Formula |
C18H33N3O12
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| Exact mass |
483.2064
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| Mol weight |
483.4675
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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 33
1 O2a O 20.4526 -14.0781
2 C1y C 21.5732 -13.3777
3 O2x O 22.9039 -14.0781
4 C1y C 24.0946 -13.3777
5 C1y C 24.0946 -11.9769
6 C1y C 22.8339 -11.2765
7 C1y C 21.6432 -11.9769
8 C4a C 25.2853 -14.0781
9 O4a O 25.2853 -15.4788
10 O1a O 20.4526 -11.2765
11 C1y C 20.4526 -15.4788
12 C1y C 21.7133 -16.1792
13 C1x C 21.7133 -17.5800
14 C1y C 20.5226 -18.2804
15 C1y C 19.1919 -17.5800
16 C1y C 19.2619 -16.1792
17 N1a N 22.9039 -15.4788
18 N1a N 20.5226 -19.6812
19 O1a O 18.0713 -15.4788
20 O2a O 18.0713 -18.2804
21 C1y C 16.8806 -19.0508
22 C1y C 16.8806 -20.4516
23 C1y C 15.6900 -21.1520
24 C1y C 14.4993 -20.4516
25 C1y C 14.4293 -19.0508
26 O2x O 15.6900 -18.3504
27 O1a O 18.1413 -21.0819
28 O1a O 13.2386 -21.1520
29 C1b C 13.2386 -18.3504
30 N1a N 15.6900 -22.5527
31 O1a O 12.0480 -19.0508
32 O1a O 22.8339 -9.8758
33 O1a O 25.2853 -11.2765
BOND 35
1 16 19 1 #Up
2 8 9 2
3 15 20 1 #Down
4 11 1 1 #Down
5 21 20 1 #Down
6 7 10 1 #Down
7 2 3 1
8 3 4 1
9 4 5 1
10 5 6 1
11 21 22 1
12 22 23 1
13 23 24 1
14 24 25 1
15 25 26 1
16 26 21 1
17 6 7 1
18 22 27 1 #Down
19 7 2 1
20 24 28 1 #Down
21 11 12 1
22 25 29 1 #Up
23 12 13 1
24 23 30 1 #Up
25 13 14 1
26 29 31 1
27 14 15 1
28 6 32 1 #Up
29 15 16 1
30 5 33 1 #Down
31 16 11 1
32 2 1 1 #Down
33 12 17 1 #Up
34 4 8 1 #Up
35 14 18 1 #Up
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