Entry |
|
Name |
|
Formula |
C47H59IN2O19S4
|
Exact mass |
1210.164
|
Mol weight |
1211.1378
|
Structure |

|
Reaction |
|
Pathway |
map01059 | Biosynthesis of enediyne antibiotics |
map01110 | Biosynthesis of secondary metabolites |
|
Module |
M00833 | Calicheamicin biosynthesis, calicheamicinone => calicheamicin |
|
Enzyme |
2.4.1.- 2.4.2.-
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 73
1 N1b N 27.9300 -10.8488
2 C7a C 28.7982 -10.1977
3 O7a O 29.8833 -10.8488
4 C2y C 26.1215 -11.1382
5 C1b C 20.6232 -12.1510
6 C2b C 21.7808 -11.3552
7 S3a S 19.5381 -11.4275
8 C1z C 24.3852 -10.7041
9 C1x C 25.1810 -9.9083
10 C5x C 26.4107 -9.9083
11 C2y C 23.0829 -11.3552
12 C2y C 24.8193 -12.0063
13 O5x O 27.4235 -9.0402
14 O1a O 23.0829 -9.9807
15 C0 C 26.4107 -11.6446
16 C1y C 23.9511 -12.8744
17 C0 C 25.1810 -13.2361
18 C0 C 26.3384 -13.6702
19 C2x C 27.7130 -14.1043
20 C2x C 28.0747 -13.1638
21 C0 C 27.2789 -12.2233
22 S3a S 18.3806 -12.1510
23 S3a S 17.2954 -11.4275
24 C1a C 16.1380 -12.1510
25 O2a O 23.9511 -14.3936
26 C1y C 22.5043 -15.1894
27 O6a O 28.7982 -8.7508
28 C1a C 31.0407 -10.1977
29 C1y C 19.9722 -15.1894
30 C1y C 19.9722 -16.6363
31 C1y C 21.2021 -17.3597
32 C1y C 22.5043 -16.6363
33 O2x O 21.2021 -14.4660
34 O1a O 23.7341 -17.3597
35 O1a O 21.2021 -18.8066
36 N1b N 18.7423 -17.3597
37 O2a O 17.5126 -16.6363
38 C1a C 18.7423 -14.4660
39 C1y C 16.3069 -17.3192
40 O2x O 15.1128 -16.6164
41 C1y C 13.8929 -17.3072
42 C1y C 13.8812 -18.7090
43 C1y C 15.0753 -19.4118
44 C1x C 16.2951 -18.7210
45 C1a C 12.6748 -16.5902
46 S2a S 12.6521 -19.4050
47 O1a O 15.0635 -20.8209
48 C5a C 11.4688 -18.7084
49 C8y C 10.2631 -19.3913
50 O5a O 11.4806 -17.3107
51 C8y C 9.0905 -18.7012
52 C8y C 7.8709 -19.3919
53 C8y C 7.8592 -20.7933
54 C8y C 9.0318 -21.4834
55 C8y C 10.3214 -20.7927
56 C1a C 9.1022 -17.3107
57 X I 6.6535 -18.6752
58 O2a O 6.6199 -21.4950
59 O2a O 9.0198 -22.9168
60 O2a O 11.4509 -21.4989
61 C1a C 12.6394 -20.8260
62 C1a C 10.2400 -23.6351
63 C1y C 5.4074 -22.1950
64 O2x O 4.1798 -21.4862
65 C1y C 2.9673 -22.1861
66 C1y C 2.9673 -23.5861
67 C1y C 4.1949 -24.2949
68 C1y C 5.4074 -23.5950
69 O1a O 6.6046 -24.2863
70 O2a O 4.1949 -25.6900
71 C1a C 1.7363 -21.4750
72 O1a O 1.7328 -24.2990
73 C1a C 2.9863 -26.3877
BOND 78
1 10 4 1
2 18 19 1
3 5 6 1
4 19 20 2
5 7 22 1
6 22 23 1
7 15 21 3
8 23 24 1
9 16 25 1 #Down
10 8 11 1
11 20 21 1
12 11 6 2
13 11 12 1
14 1 2 1
15 4 12 2
16 5 7 1
17 10 13 2
18 4 1 1
19 8 14 1 #Down
20 8 15 1
21 26 25 1 #Up
22 8 9 1
23 12 16 1
24 2 3 1
25 16 17 1
26 9 10 1
27 2 27 2
28 3 28 1
29 17 18 3
30 29 30 1
31 30 31 1
32 31 32 1
33 32 26 1
34 29 33 1
35 32 34 1 #Down
36 31 35 1 #Up
37 30 36 1 #Down
38 36 37 1
39 29 38 1 #Up
40 33 26 1
41 39 37 1 #Up
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
47 39 44 1
48 41 45 1 #Up
49 42 46 1 #Down
50 43 47 1 #Down
51 46 48 1
52 48 49 1
53 48 50 2
54 49 51 2
55 51 52 1
56 52 53 2
57 53 54 1
58 54 55 2
59 49 55 1
60 51 56 1
61 52 57 1
62 53 58 1
63 54 59 1
64 55 60 1
65 60 61 1
66 59 62 1
67 63 58 1 #Up
68 63 64 1
69 64 65 1
70 65 66 1
71 66 67 1
72 67 68 1
73 63 68 1
74 68 69 1 #Down
75 67 70 1 #Down
76 65 71 1 #Down
77 66 72 1 #Up
78 70 73 1
|