| Entry |
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| Name |
Trehalose mycolic-beta-ketoester
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| Formula |
C22H36O13R(R1)
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| Structure |
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| Comment |
Generic compound in reaction hierarchy
R = alpha-branch chain
R1 = meromycolic chain
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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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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C1y C 34.0900 -15.5400
2 O2a O 32.9000 -16.2400
3 O2x O 35.3500 -16.2400
4 C1y C 34.0900 -14.1400
5 C1y C 31.7100 -16.9400
6 C1y C 36.5400 -15.5400
7 C1y C 35.3500 -13.3700
8 O1a O 32.9000 -13.3700
9 O2x O 30.4500 -16.2400
10 C1y C 31.7100 -18.3400
11 C1y C 36.5400 -14.1400
12 C1b C 37.7300 -16.2400
13 O1a O 35.3500 -11.9700
14 C1y C 29.2600 -16.9400
15 C1y C 30.4500 -19.0400
16 O1a O 32.9000 -19.0400
17 O1a O 37.7300 -13.3700
18 O1a O 38.7800 -15.3300
19 C1y C 29.2600 -18.3400
20 C1b C 28.0700 -16.2400
21 O1a O 30.4500 -20.4400
22 O1a O 28.0700 -19.0400
23 O7a O 26.7400 -17.0100
24 C1c C 24.2900 -17.0100
25 C7a C 25.5500 -16.3100
26 O6a O 25.5500 -14.9100
27 C1b C 24.2900 -18.6900
28 C1b C 23.0300 -19.3900
29 C1b C 21.8400 -18.6900
30 R R 20.6500 -19.3900
31 C1b C 19.6000 -17.0800
32 C1b C 20.7900 -16.3800
33 C1b C 21.9800 -17.0100
34 C5a C 23.1000 -16.3800
35 O5a O 23.1000 -14.9800
36 C1b C 18.4100 -16.3800
37 Z R# 16.8700 -17.0800
BOND 38
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 12 18 1
18 14 19 1
19 14 20 1 #Up
20 15 21 1 #Up
21 19 22 1 #Down
22 20 23 1
23 7 11 1
24 15 19 1
25 24 25 1
26 25 26 2
27 24 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 33 34 1
32 34 24 1
33 32 33 1
34 31 32 1
35 34 35 2
36 31 36 1
37 36 37 1
38 25 23 1
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