| Entry |
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| Name |
Trehalose dimycolate;
TDM
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| Formula |
C32H54O15R2(R1)2
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| Structure |
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| Comment |
Generic compound in reaction hierarchy
R = alpha-branch chain
R1 = meromycolic chain
Mycobacterial TDM [CPD: C21790]
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00887 | Mycolic acid biosynthesis, meromycolic acid + alpha-carboxyacyl-CoA + trehalose => TMM => TDM/mAGP/GMM |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 51
1 C1y C 24.9200 -15.3300
2 O2a O 23.7300 -16.0300
3 O2x O 26.1800 -16.0300
4 C1y C 24.9200 -13.9300
5 C1y C 22.5400 -16.7300
6 C1y C 27.3700 -15.3300
7 C1y C 26.1800 -13.1600
8 O1a O 23.7300 -13.1600
9 O2x O 21.3500 -16.0300
10 C1y C 22.5400 -18.0600
11 C1y C 27.3700 -13.9300
12 C1b C 28.5600 -16.0300
13 O1a O 26.1800 -11.7600
14 C1y C 20.1600 -16.7300
15 C1y C 21.3500 -18.7600
16 O1a O 23.7300 -18.7600
17 O1a O 28.5600 -13.1600
18 C1y C 20.1600 -18.0600
19 C1b C 18.9700 -16.0300
20 O1a O 21.3500 -20.1600
21 O1a O 18.9700 -18.7600
22 O7a O 17.6400 -16.8000
23 C1c C 15.2600 -16.8000
24 C7a C 16.4500 -16.1000
25 O6a O 16.4500 -14.7000
26 C1b C 15.2600 -18.4100
27 C1b C 14.0000 -19.1100
28 C1b C 12.8100 -18.4100
29 R R 11.6200 -19.1100
30 C1b C 10.5700 -16.8700
31 C1b C 11.7600 -16.1700
32 C1b C 12.9500 -16.8000
33 C1c C 14.0700 -16.1700
34 O1a O 14.0700 -14.7000
35 C1b C 9.3800 -16.1700
36 Z R# 7.9100 -16.8700
37 O7a O 29.7500 -15.3300
38 C1c C 32.1300 -15.3300
39 C7a C 30.9400 -16.0300
40 O6a O 30.9400 -17.4300
41 C1b C 32.1300 -13.7200
42 C1b C 33.3200 -13.0200
43 C1b C 34.5100 -13.7200
44 R R 35.7000 -13.0200
45 C1b C 36.7500 -15.2600
46 C1b C 35.5600 -15.9600
47 C1b C 34.3700 -15.3300
48 C1c C 33.2500 -15.9600
49 O1a O 33.2500 -17.4300
50 C1b C 37.9400 -15.9600
51 Z R# 39.4100 -15.2600
BOND 52
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 5 2 1 #Down
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 10 15 1
15 10 16 1 #Down
16 11 17 1 #Down
17 14 18 1
18 14 19 1 #Up
19 15 20 1 #Up
20 18 21 1 #Down
21 19 22 1
22 7 11 1
23 15 18 1
24 23 24 1
25 24 25 2
26 23 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 32 33 1
31 33 23 1
32 31 32 1
33 30 31 1
34 33 34 1
35 30 35 1
36 35 36 1
37 24 22 1
38 12 37 1
39 38 39 1
40 39 40 2
41 38 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 47 48 1
46 48 38 1
47 46 47 1
48 45 46 1
49 48 49 1
50 45 50 1
51 50 51 1
52 39 37 1
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