| Entry |
|
|---|
| Name |
Corynebactin;
Bacillibactin
|
|---|
| Formula |
C39H42N6O18
|
|---|
| Exact mass |
882.2556
|
|---|
| Mol weight |
882.7802
|
|---|
| Structure |
|
|---|
| Sequence |
0 DHBA 1 Gly 2 Thr (Trimer) |
|---|
| Gene |
|
|---|
| Organism |
Bacillus subtilis [GN: bsu] |
|---|
| Type |
NRP |
|---|
| Pathway |
| map01053 | Biosynthesis of siderophore group nonribosomal peptides |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 63
1 N1b N 20.7672 -13.9986
2 C5a C 19.5398 -13.2987
3 C8y C 18.3326 -13.9986
4 O5a O 19.5398 -11.8978
5 C8y C 17.1243 -13.2930
6 C8x C 18.3385 -15.3936
7 C8y C 15.9099 -13.9928
8 O1a O 17.1300 -11.8849
9 C8x C 17.1243 -16.1006
10 C8x C 15.9099 -15.3936
11 O1a O 14.6898 -13.2930
12 C8y C 27.9674 -24.7478
13 C5a C 28.7007 -23.6173
14 C8y C 26.5675 -24.7691
15 C8x C 28.6339 -26.0315
16 N1b N 28.0266 -22.3923
17 O5a O 30.0988 -23.5883
18 C8y C 25.8372 -25.9646
19 O1a O 25.8864 -23.5411
20 C8x C 27.9034 -27.2270
21 C8x C 26.5047 -27.2008
22 O1a O 24.4262 -25.9309
23 N1b N 35.2991 -14.0013
24 C5a C 36.5135 -13.3014
25 C8y C 37.7279 -14.0013
26 O5a O 36.5135 -11.9005
27 C8y C 38.9292 -13.3073
28 C8x C 37.7219 -15.4080
29 C8y C 40.1365 -14.0013
30 O1a O 38.9292 -11.9005
31 C8x C 38.9292 -16.1092
32 C8x C 40.1365 -15.4080
33 O1a O 41.3578 -13.3073
34 C1y C 28.0281 -18.2093
35 C7x C 29.2494 -17.5152
36 C1y C 26.8139 -17.5152
37 O7x O 29.2494 -16.1143
38 O6a O 30.4626 -18.2093
39 O7x O 26.8139 -16.1143
40 C1y C 30.4626 -15.4004
41 C7x C 25.5995 -15.4004
42 C1y C 30.4626 -13.9994
43 C1y C 25.5995 -13.9994
44 O6a O 24.3923 -16.1143
45 C7x C 29.2494 -13.2996
46 C1y C 26.8139 -13.2996
47 O7x O 28.0281 -13.9994
48 O6a O 29.2494 -11.8985
49 N1b N 31.6709 -13.3016
50 C1a C 31.6739 -16.0930
51 N1b N 28.0262 -19.6047
52 C1a C 25.6070 -18.2154
53 C1a C 26.8139 -11.9042
54 C5a C 32.8793 -13.9991
55 C1b C 34.0876 -13.3011
56 O5a O 32.8797 -15.2544
57 C5a C 26.8169 -20.3008
58 C1b C 26.8152 -21.6962
59 O5a O 25.6095 -19.6015
60 N1b N 24.3914 -13.3013
61 C5a C 23.1828 -13.9986
62 C1b C 21.9747 -13.3004
63 O5a O 23.1823 -15.3939
BOND 66
1 28 31 2
2 29 32 2
3 29 33 1
4 31 32 1
5 7 11 1
6 12 13 1
7 12 14 1
8 12 15 2
9 13 16 1
10 13 17 2
11 14 18 2
12 14 19 1
13 15 20 1
14 18 21 1
15 18 22 1
16 20 21 2
17 9 10 2
18 1 2 1
19 34 35 1
20 34 36 1
21 35 37 1
22 35 38 2
23 36 39 1
24 37 40 1
25 39 41 1
26 40 42 1
27 41 43 1
28 41 44 2
29 42 45 1
30 43 46 1
31 45 47 1
32 45 48 2
33 46 47 1
34 2 3 1
35 42 49 1 #Up
36 2 4 2
37 40 50 1 #Up
38 3 5 1
39 34 51 1 #Up
40 3 6 2
41 36 52 1 #Up
42 5 7 2
43 46 53 1 #Up
44 5 8 1
45 49 54 1
46 6 9 1
47 54 55 1
48 7 10 1
49 54 56 2
50 23 24 1
51 51 57 1
52 24 25 1
53 57 58 1
54 24 26 2
55 57 59 2
56 55 23 1
57 58 16 1
58 25 27 2
59 43 60 1 #Up
60 25 28 1
61 60 61 1
62 27 29 1
63 61 62 1
64 62 1 1
65 27 30 1
66 61 63 2
|
|---|
