| Entry |
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| Name |
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| 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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| Brite |
Compounds with biological roles [BR:br08001]
Antibiotics
Aminoglycosides
2-Deoxystreptamines
C17585 Butirosin A
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 38
1 O1a O 26.6615 -21.6229
2 C1y C 27.8511 -20.9231
3 C1y C 29.1108 -21.6929
4 C1x C 30.3004 -20.9931
5 C1y C 30.3004 -19.5935
6 C1y C 29.1108 -18.8937
7 C1y C 27.8511 -19.5935
8 N1b N 29.1108 -23.0925
9 O2a O 26.6615 -18.8937
10 N1a N 31.5600 -18.8937
11 O2a O 29.1108 -17.4942
12 C1y C 30.3004 -16.7944
13 O2x O 31.4901 -17.4942
14 C1y C 32.6797 -16.7944
15 C1y C 32.6797 -15.3948
16 C1y C 31.4901 -14.6950
17 C1y C 30.3004 -15.3948
18 C1b C 33.9393 -17.4942
19 N1a N 29.0408 -14.6950
20 O1a O 31.4901 -13.2954
21 O1a O 33.8694 -14.6950
22 N1a N 33.9393 -18.8937
23 C1y C 23.4425 -20.6432
24 C1y C 24.8420 -20.6432
25 C1y C 25.2619 -19.3136
26 O2x O 24.1422 -18.4739
27 C1y C 23.0226 -19.3136
28 C1b C 21.6930 -18.8937
29 O1a O 20.6433 -19.8035
30 O1a O 22.6027 -21.7629
31 O1a O 25.6818 -21.7629
32 C5a C 30.3324 -23.8000
33 C1c C 31.5449 -23.1000
34 C1b C 32.7573 -23.8000
35 C1b C 33.9697 -23.1000
36 N1a N 35.1822 -23.8000
37 O5a O 30.3315 -25.1998
38 O1a O 31.5449 -21.7002
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 #Up
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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