| Entry |
|
|---|
| Name |
Mycobacterial trehalose monomycolate;
Mycobacterial TMM;
Trehalose monomycolate;
TMM
|
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| Formula |
C94H180O13
|
|---|
| Exact mass |
1517.3424
|
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| Mol weight |
1518.4272
|
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| Structure |
|
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| Comment |
Generic compound in reaction hierarchy
The structure of alpha-mycolate TMM from M. tuberculosis is shown here.
|
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| Pathway |
| map00572 | Arabinogalactan biosynthesis - Mycobacterium |
|
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| Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL03 Acyltrehaloses
C21904 Trehalose monomycolate
|
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| LinkDB |
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| KCF data |
ATOM 107
1 C1b C 1.7269 -15.0006
2 C1y C 8.8776 -19.1368
3 O2a O 10.0695 -18.4358
4 O2x O 7.6858 -18.4358
5 C1y C 8.8776 -20.4688
6 C1y C 11.2612 -17.7346
7 C1y C 6.4940 -19.1368
8 C1y C 7.6858 -21.1699
9 O1a O 10.0695 -21.1699
10 O2x O 12.4530 -18.4358
11 C1y C 11.2612 -16.3326
12 C1y C 6.4940 -20.4688
13 C1b C 5.3022 -18.4358
14 O1a O 7.6858 -22.8524
15 C1y C 13.6448 -17.7346
16 C1y C 12.4530 -15.7016
17 O1a O 10.0695 -15.7016
18 O1a O 5.3022 -21.1699
19 O7a O 5.3022 -17.0337
20 C1y C 13.6448 -16.3326
21 C1b C 14.8366 -18.4358
22 O1a O 12.4530 -14.2996
23 C7a C 5.3022 -15.7016
24 O1a O 15.1170 -15.4914
25 O1a O 16.0284 -17.7346
26 C1c C 4.1104 -15.0006
27 O6a O 6.4940 -15.0006
28 C1c C 2.9187 -15.7016
29 C1b C 4.1104 -13.5985
30 O1a O 2.9187 -17.0337
31 C1b C 1.7269 -13.5985
32 C1b C 2.9187 -12.8974
33 C1b C 2.9187 -11.4953
34 C1b C 5.3022 -12.8974
35 C1b C 6.5641 -13.5985
36 C1b C 7.7559 -12.8974
37 C1b C 8.9477 -13.5985
38 C1b C 10.2097 -12.8974
39 C1b C 11.4014 -13.5985
40 C1b C 12.5932 -12.8974
41 C1b C 13.8551 -13.5985
42 C1b C 15.0469 -12.8974
43 C1b C 16.2387 -13.5985
44 C1b C 17.5005 -12.8974
45 C1b C 18.6923 -13.5985
46 C1b C 19.8841 -12.8974
47 C1b C 21.0760 -13.5985
48 C1b C 22.3378 -12.8974
49 C1b C 23.5297 -13.5985
50 C1b C 24.7214 -12.8974
51 C1b C 25.9832 -13.5985
52 C1b C 27.1751 -12.8974
53 C1b C 28.3669 -13.5985
54 C1b C 29.6289 -12.8974
55 C1b C 30.8207 -13.5985
56 C1b C 28.6473 -11.4953
57 C1b C 29.8391 -10.7942
58 C1b C 31.0308 -11.4953
59 C1b C 32.3629 -10.7942
60 C1b C 33.5547 -11.4953
61 C1b C 34.7465 -10.7942
62 C1b C 35.9383 -11.4953
63 C1b C 37.1301 -10.7942
64 C1b C 38.3218 -11.4953
65 C1y C 39.5136 -10.7942
66 C1y C 40.9157 -10.7942
67 C1b C 42.1075 -11.4953
68 C1b C 43.3695 -10.7942
69 C1b C 44.5613 -11.4953
70 C1b C 45.7530 -10.7942
71 C1b C 47.0149 -11.4953
72 C1b C 48.2067 -10.7942
73 C1b C 49.3985 -11.4953
74 C1b C 50.6604 -10.7942
75 C1b C 51.9222 -11.4953
76 C1b C 53.1140 -10.7942
77 C1b C 54.3759 -11.4953
78 C1x C 40.2147 -9.6025
79 C1b C 55.5677 -10.7942
80 C1b C 56.8297 -11.4953
81 C1b C 58.0215 -10.7942
82 C1b C 59.2132 -11.4953
83 C1b C 60.4751 -10.7942
84 C1b C 61.6669 -11.4953
85 C1a C 62.8587 -10.7942
86 C1b C 4.1104 -10.7942
87 C1b C 5.3022 -11.4953
88 C1b C 6.5641 -10.7942
89 C1b C 7.7559 -11.4953
90 C1b C 8.9477 -10.7942
91 C1b C 10.1395 -11.4953
92 C1b C 11.4715 -10.7942
93 C1b C 12.6633 -11.4953
94 C1b C 13.8551 -10.7942
95 C1b C 15.0469 -11.4953
96 C1b C 16.3088 -10.7942
97 C1b C 17.5005 -11.4953
98 C1b C 18.7624 -10.7942
99 C1y C 19.9542 -11.4953
100 C1y C 21.3564 -11.4953
101 C1b C 22.5482 -10.7942
102 C1b C 23.8101 -11.4953
103 C1b C 25.0018 -10.7942
104 C1b C 26.1936 -11.4953
105 C1x C 20.6554 -12.6871
106 C1b C 27.4555 -10.7942
107 C1a C 32.0308 -12.9128
BOND 110
1 2 3 1 #Down
2 2 4 1
3 2 5 1
4 6 3 1 #Down
5 4 7 1
6 5 8 1
7 5 9 1 #Down
8 6 10 1
9 6 11 1
10 7 12 1
11 7 13 1 #Up
12 8 14 1 #Up
13 10 15 1
14 11 16 1
15 11 17 1 #Down
16 12 18 1 #Down
17 13 19 1
18 15 20 1
19 15 21 1 #Up
20 16 22 1 #Up
21 19 23 1
22 20 24 1 #Down
23 21 25 1
24 23 26 1
25 23 27 2
26 26 28 1
27 26 29 1
28 28 30 1
29 8 12 1
30 16 20 1
31 28 1 1
32 1 31 1
33 31 32 1
34 32 33 1
35 29 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 42 43 1
45 43 44 1
46 44 45 1
47 45 46 1
48 46 47 1
49 47 48 1
50 48 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 92 93 1
58 86 87 1
59 93 94 1
60 94 95 1
61 87 88 1
62 95 96 1
63 88 89 1
64 89 90 1
65 90 91 1
66 33 86 1
67 91 92 1
68 96 97 1
69 97 98 1
70 98 99 1
71 99 100 1
72 100 101 1
73 101 102 1
74 102 103 1
75 103 104 1
76 56 57 1
77 99 105 1
78 100 105 1
79 57 58 1
80 58 59 1
81 59 60 1
82 60 61 1
83 61 62 1
84 62 63 1
85 63 64 1
86 64 65 1
87 65 66 1
88 66 67 1
89 67 68 1
90 68 69 1
91 69 70 1
92 70 71 1
93 71 72 1
94 72 73 1
95 73 74 1
96 74 75 1
97 75 76 1
98 76 77 1
99 65 78 1
100 78 66 1
101 77 79 1
102 79 80 1
103 80 81 1
104 81 82 1
105 82 83 1
106 83 84 1
107 84 85 1
108 104 106 1
109 106 56 1
110 55 107 1
|
|---|
