Entry |
|
Name |
Cephabacin F3;
Cephabacin
|
Formula |
C32H51N11O13S
|
Exact mass |
829.3389
|
Mol weight |
829.8782
|
Structure |
|
Sequence |
0 Ala 1 Ala 2 Ala 3 Arg 4 Man |
Gene |
|
Organism |
Lysobacter lactamgenus |
Type |
PKNRP |
Other DBs |
|
KCF data |
ATOM 57
1 N1a N 25.2620 -24.2905
2 C1c C 26.4623 -24.9835
3 C1b C 27.6627 -24.2905
4 C1b C 28.8630 -24.9835
5 C1b C 30.0633 -24.2905
6 C5a C 31.2638 -24.9835
7 N1b N 32.4639 -24.2905
8 C6a C 26.4623 -26.3694
9 O6a O 25.2453 -27.0722
10 O6a O 27.6460 -27.0530
11 O5a O 31.2638 -26.3692
12 C1z C 33.6683 -24.9858
13 C5x C 33.6683 -26.3719
14 N1y N 35.0544 -26.3719
15 C1y C 35.0544 -24.9858
16 O5x O 32.6791 -27.3613
17 C2y C 36.2547 -27.0649
18 C2y C 37.4551 -26.3719
19 C1x C 37.4551 -24.9858
20 S2x S 36.2547 -24.2928
21 C6a C 36.2548 -28.4484
22 O6a O 37.4748 -29.1530
23 O6a O 35.0741 -29.1303
24 C1b C 38.6594 -27.0626
25 O7a O 39.8599 -26.3696
26 N1b N 33.6683 -23.5998
27 C4a C 34.9082 -22.8842
28 O4a O 34.9082 -21.4659
29 C7a C 39.8599 -24.9513
30 C1b C 41.0881 -24.2422
31 O6a O 38.6087 -24.2291
32 C1c C 41.0881 -22.8239
33 C1c C 42.3493 -22.0958
34 O1a O 39.8736 -22.1223
35 C1b C 43.5571 -22.7934
36 N1b N 42.3496 -20.6739
37 C1b C 44.7617 -22.0981
38 C5a C 41.1213 -19.9648
39 O5a O 39.8914 -20.6749
40 C1c C 41.1213 -18.5463
41 N1b N 39.8913 -17.8361
42 C1a C 42.3477 -17.8383
43 C5a C 38.6793 -18.5361
44 C1c C 37.4769 -17.8420
45 O5a O 38.6792 -19.9643
46 N1b N 36.2698 -18.5390
47 C1a C 37.4767 -16.4191
48 C5a C 35.0649 -17.8434
49 C1c C 33.8592 -18.5397
50 N1a N 32.6537 -17.8438
51 O5a O 35.0647 -16.4191
52 C1a C 33.8593 -19.9644
53 C1b C 45.9674 -22.7945
54 N1b N 47.1730 -22.0987
55 C2c C 48.3783 -22.7948
56 N1a N 49.5842 -22.0988
57 N2a N 48.3782 -24.2192
BOND 58
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 8 1
8 8 9 2
9 8 10 1
10 6 11 2
11 7 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 12 15 1
16 13 16 2
17 14 17 1
18 17 18 2
19 18 19 1
20 19 20 1
21 15 20 1 #Up
22 17 21 1
23 21 22 2
24 21 23 1
25 18 24 1
26 24 25 1
27 12 26 1 #Down
28 26 27 1
29 27 28 2
30 25 29 1
31 29 30 1
32 29 31 2
33 30 32 1
34 32 33 1
35 32 34 1 #Up
36 33 35 1
37 33 36 1 #Up
38 35 37 1
39 36 38 1
40 38 39 2
41 38 40 1
42 40 41 1 #Up
43 40 42 1
44 41 43 1
45 43 44 1
46 43 45 2
47 44 46 1 #Up
48 44 47 1
49 46 48 1
50 48 49 1
51 49 50 1 #Down
52 48 51 2
53 49 52 1
54 37 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 55 57 2
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