Entry |
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Name |
alpha,alpha'-Trehalose 6-mycolate
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Formula |
C44H82O13
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Exact mass |
818.5755
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Mol weight |
819.1141
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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
C04218 alpha,alpha'-Trehalose 6-mycolate
SL Saccharolipids
SL03 Acyltrehaloses
C04218 alpha,alpha'-Trehalose 6-mycolate
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Other DBs |
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LinkDB |
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KCF data |
ATOM 57
1 C1b C 23.4644 -21.8706
2 C1b C 24.6725 -21.1730
3 C1b C 22.2562 -21.1730
4 C1b C 21.0479 -21.8706
5 C1b C 19.8397 -21.1730
6 C1b C 18.6316 -21.8706
7 C1b C 17.4233 -21.1730
8 C2b C 16.2151 -21.8706
9 C2b C 15.0070 -21.1730
10 C1b C 13.7987 -21.8706
11 C1b C 12.5905 -21.1730
12 C1b C 11.3822 -21.8706
13 C1b C 10.1741 -21.1730
14 C1b C 8.9658 -21.8706
15 C1a C 7.7576 -21.1730
16 C1c C 25.8808 -21.8706
17 C1b C 29.8264 -19.6171
18 C1b C 31.0346 -18.9195
19 C1b C 32.2427 -19.6171
20 C1b C 33.4510 -18.9195
21 C1b C 34.6592 -19.6171
22 C1b C 35.8675 -18.9195
23 C1b C 37.0756 -19.6171
24 C1b C 38.2838 -18.9195
25 C1b C 39.4921 -19.6171
26 C1b C 40.7002 -18.9195
27 C1b C 41.9085 -19.6171
28 C1y C 31.8871 -25.3191
29 O2a O 33.0708 -24.6253
30 O2x O 30.6733 -24.6310
31 C1y C 31.8871 -26.7083
32 C1y C 34.2733 -23.9358
33 C1y C 29.4707 -25.3191
34 C1y C 30.6733 -27.4265
35 O1a O 33.1701 -27.3100
36 O2x O 35.4758 -24.6486
37 C1y C 34.2733 -22.5411
38 C1y C 29.4707 -26.7083
39 C1b C 28.2799 -24.6310
40 O1a O 30.6673 -28.8041
41 C1y C 36.6899 -23.9358
42 C1y C 35.4758 -21.8530
43 O1a O 33.0825 -21.8530
44 O1a O 28.2682 -27.4034
45 O7a O 28.2799 -23.2537
46 C1y C 36.6899 -22.5411
47 C1b C 37.8807 -24.6310
48 O1a O 35.4701 -20.4697
49 C7a C 28.2799 -21.8706
50 O1a O 37.8807 -21.8472
51 O1a O 39.0832 -23.9301
52 C1c C 27.0776 -21.1754
53 O6a O 29.4707 -21.1754
54 C1b C 27.0950 -19.6287
55 O1a O 25.8808 -23.2537
56 C1b C 28.3964 -18.8765
57 C1a C 43.1167 -18.9195
BOND 58
1 2 16 1
2 8 9 2
3 17 18 1
4 4 5 1
5 18 19 1
6 9 10 1
7 19 20 1
8 1 3 1
9 20 21 1
10 10 11 1
11 21 22 1
12 5 6 1
13 22 23 1
14 11 12 1
15 23 24 1
16 1 2 1
17 24 25 1
18 12 13 1
19 25 26 1
20 6 7 1
21 26 27 1
22 13 14 1
23 3 4 1
24 14 15 1
25 28 29 1 #Down
26 28 30 1
27 28 31 1
28 32 29 1 #Down
29 30 33 1
30 31 34 1
31 31 35 1 #Down
32 32 36 1
33 32 37 1
34 33 38 1
35 33 39 1 #Up
36 34 40 1 #Up
37 36 41 1
38 37 42 1
39 37 43 1 #Down
40 38 44 1 #Down
41 39 45 1
42 41 46 1
43 41 47 1 #Up
44 42 48 1 #Up
45 45 49 1
46 46 50 1 #Down
47 47 51 1
48 49 52 1
49 49 53 2
50 52 16 1
51 52 54 1
52 16 55 1
53 54 56 1
54 56 17 1
55 34 38 1
56 42 46 1
57 7 8 1
58 27 57 1
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