| Entry |
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| Name |
alpha,alpha'-Trehalose 6,6'-bismycolate
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| Formula |
C76H142O15
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| Exact mass |
1295.0349
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| Mol weight |
1295.9317
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| Structure |
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| Reaction |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0116 Mycolic acids
C04465 alpha,alpha'-Trehalose 6,6'-bismycolate
SL Saccharolipids
SL03 Acyltrehaloses
C04465 alpha,alpha'-Trehalose 6,6'-bismycolate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 91
1 C1c C 36.5306 -24.3326
2 C1b C 37.7377 -23.6356
3 C1b C 38.9450 -24.3326
4 C1b C 40.1522 -23.6356
5 C1b C 41.3595 -24.3326
6 C1b C 42.5666 -23.6356
7 C1b C 43.7738 -24.3326
8 C1b C 44.9811 -23.6356
9 C2b C 46.1882 -24.3326
10 C2b C 47.3954 -23.6356
11 C1b C 48.6027 -24.3326
12 C1b C 49.8098 -23.6356
13 C1b C 51.0170 -24.3326
14 C1b C 52.2243 -23.6356
15 C1b C 53.4315 -24.3326
16 C1a C 54.6386 -23.6356
17 C1b C 38.0696 -22.2636
18 C1b C 39.2767 -21.5666
19 C1b C 40.4839 -22.2636
20 C1b C 41.6912 -21.5666
21 C1b C 42.8984 -22.2636
22 C1b C 44.1055 -21.5666
23 C1b C 45.3128 -22.2636
24 C1b C 46.5200 -21.5666
25 C1b C 47.7271 -22.2636
26 C1b C 48.9344 -21.5666
27 C1b C 50.1416 -22.2636
28 C1a C 51.3487 -21.5666
29 C1b C 36.6357 -21.5210
30 C1b C 17.4533 -21.6143
31 C1b C 16.2462 -20.9173
32 C1b C 15.0390 -21.6143
33 C1b C 13.8317 -20.9173
34 C1b C 12.6246 -21.6143
35 C1b C 11.4174 -20.9173
36 C2b C 10.2101 -21.6143
37 C2b C 9.0028 -20.9173
38 C1b C 7.7958 -21.6143
39 C1b C 6.5885 -20.9173
40 C1b C 5.3812 -21.6143
41 C1b C 4.1742 -20.9173
42 C1b C 2.9669 -21.6143
43 C1a C 1.7596 -20.9173
44 C1b C 18.6590 -20.9153
45 C1b C 23.7733 -19.5458
46 C1b C 24.9805 -18.8488
47 C1b C 26.1876 -19.5458
48 C1b C 27.3949 -18.8488
49 C1b C 28.6021 -19.5458
50 C1b C 29.8094 -18.8488
51 C1b C 31.0165 -19.5458
52 C1b C 32.2237 -18.8488
53 C1b C 33.4310 -19.5458
54 C1b C 34.6381 -18.8488
55 C1b C 35.8453 -19.5458
56 C1a C 37.0526 -18.8488
57 C1y C 25.8233 -25.0392
58 O2a O 27.0122 -24.3326
59 O2x O 24.6154 -24.3453
60 C1y C 25.8233 -26.4198
61 C1y C 28.2072 -23.6643
62 C1y C 23.4264 -25.0392
63 C1y C 24.6154 -27.1193
64 O1a O 27.0122 -27.1077
65 O2x O 29.3905 -24.3640
66 C1y C 28.2072 -22.2768
67 C1y C 23.4264 -26.4198
68 C1b C 22.2431 -24.3453
69 O1a O 24.6341 -28.7733
70 C1y C 30.5910 -23.6643
71 C1y C 29.3905 -21.5959
72 O1a O 27.0181 -21.5959
73 O1a O 22.2431 -27.1077
74 O7a O 22.2431 -22.9891
75 C1y C 30.5910 -22.2768
76 C1b C 31.7873 -24.3453
77 O1a O 29.3905 -20.2210
78 C7a C 22.2431 -21.6144
79 O1a O 32.0350 -21.4473
80 O7a O 32.9763 -23.6586
81 C1c C 21.0539 -20.9335
82 O6a O 23.4264 -20.9335
83 C7a C 34.1655 -24.3326
84 C1c C 19.8651 -21.6144
85 C1b C 21.0539 -19.5515
86 C1c C 35.3416 -23.6586
87 O6a O 34.1655 -25.7144
88 O1a O 19.8651 -22.9891
89 C1b C 22.3611 -18.8029
90 C1b C 35.3416 -22.2768
91 O1a O 36.5306 -25.7144
BOND 92
1 1 2 1
2 47 48 1
3 24 25 1
4 48 49 1
5 12 13 1
6 49 50 1
7 25 26 1
8 50 51 1
9 6 7 1
10 51 52 1
11 26 27 1
12 52 53 1
13 29 17 1
14 53 54 1
15 13 14 1
16 54 55 1
17 27 28 1
18 55 56 1
19 3 4 1
20 14 15 1
21 30 44 1
22 7 8 1
23 30 31 1
24 15 16 1
25 31 32 1
26 32 33 1
27 8 9 1
28 33 34 1
29 17 18 1
30 34 35 1
31 4 5 1
32 35 36 1
33 18 19 1
34 36 37 2
35 9 10 2
36 37 38 1
37 19 20 1
38 38 39 1
39 2 3 1
40 39 40 1
41 20 21 1
42 40 41 1
43 10 11 1
44 41 42 1
45 21 22 1
46 42 43 1
47 5 6 1
48 22 23 1
49 11 12 1
50 45 46 1
51 23 24 1
52 46 47 1
53 57 58 1 #Down
54 57 59 1
55 57 60 1
56 61 58 1 #Down
57 59 62 1
58 60 63 1
59 60 64 1 #Down
60 61 65 1
61 61 66 1
62 62 67 1
63 62 68 1 #Up
64 63 69 1 #Up
65 65 70 1
66 66 71 1
67 66 72 1 #Down
68 67 73 1 #Down
69 68 74 1
70 70 75 1
71 70 76 1 #Up
72 71 77 1 #Up
73 74 78 1
74 75 79 1 #Down
75 76 80 1
76 78 81 1
77 78 82 2
78 80 83 1
79 81 84 1
80 81 85 1
81 83 86 1
82 83 87 2
83 84 88 1
84 85 89 1
85 86 1 1
86 86 90 1
87 89 45 1
88 1 91 1
89 90 29 1
90 63 67 1
91 71 75 1
92 84 44 1
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