| Entry |
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| Name |
Trehalose-6,6'-dibehenate;
Trehalose 6,6'-dibehenate;
TDB
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| Formula |
C56H106O13
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| Exact mass |
986.7633
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| Mol weight |
987.43
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| Structure |
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| Comment |
Synthetic analog of Trehalose-6,6'-dimycolate [CPD: C21790]
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| Pathway |
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| Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL03 Acyltrehaloses
C19190 Trehalose-6,6'-dibehenate
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 69
1 C1b C 41.5029 -15.8063
2 C1b C 42.7162 -15.1057
3 C1b C 43.9298 -15.8063
4 C1b C 45.1432 -15.1057
5 C1b C 46.3567 -15.8063
6 C1b C 47.5700 -15.1057
7 C1b C 48.7834 -15.8063
8 C1b C 49.9969 -15.1057
9 C1b C 51.2102 -15.8063
10 C1b C 52.4236 -15.1057
11 C1b C 53.6372 -15.8063
12 C1b C 54.8505 -15.1057
13 C1b C 56.0639 -15.8063
14 C1b C 57.2774 -15.1057
15 C1b C 58.4908 -15.8063
16 C1b C 59.7041 -15.1057
17 C1b C 22.3275 -13.0740
18 C1b C 21.1142 -12.3734
19 C1b C 19.9008 -13.0740
20 C1b C 18.6873 -12.3734
21 C1b C 17.4740 -13.0740
22 C1b C 16.2606 -12.3734
23 C1b C 15.0472 -13.0740
24 C1b C 13.8336 -12.3734
25 C1b C 12.6204 -13.0740
26 C1b C 11.4069 -12.3734
27 C1b C 10.1934 -13.0740
28 C1b C 8.9802 -12.3734
29 C1b C 7.7667 -13.0740
30 C1b C 6.5532 -12.3734
31 C1b C 23.5394 -12.3714
32 C1y C 30.7406 -16.5165
33 O2a O 31.9356 -15.8063
34 O2x O 29.5265 -15.8191
35 C1y C 30.7406 -17.9043
36 C1y C 33.1368 -15.1346
37 C1y C 28.3314 -16.5165
38 C1y C 29.5265 -18.6074
39 O1a O 31.9356 -18.5957
40 O2x O 34.3262 -15.8379
41 C1y C 33.1368 -13.7399
42 C1y C 28.3314 -17.9043
43 C1b C 27.1420 -15.8191
44 O1a O 29.5453 -20.2699
45 C1y C 35.5329 -15.1346
46 C1y C 34.3262 -13.0555
47 O1a O 31.9416 -13.0555
48 O1a O 27.1420 -18.5957
49 O7a O 27.1420 -14.4559
50 C1y C 35.5329 -13.7399
51 C1b C 36.7353 -15.8191
52 O1a O 34.3262 -11.6735
53 C7a C 27.1420 -13.0741
54 O1a O 36.9843 -12.9062
55 O7a O 37.9304 -15.1288
56 C1b C 25.9467 -12.3897
57 O6a O 28.3314 -12.3897
58 C7a C 39.1257 -15.8063
59 C1b C 24.7517 -13.0741
60 C1b C 40.3078 -15.1288
61 O6a O 39.1257 -17.1952
62 C1b C 60.9573 -15.8290
63 C1b C 62.1547 -15.1374
64 C1b C 63.3505 -15.8275
65 C1a C 64.5465 -15.1366
66 C1b C 5.3217 -13.0844
67 C1b C 4.1247 -12.3931
68 C1b C 2.9289 -13.0836
69 C1a C 1.7328 -12.3927
BOND 70
1 1 2 1
2 12 13 1
3 6 7 1
4 13 14 1
5 3 4 1
6 14 15 1
7 17 31 1
8 7 8 1
9 17 18 1
10 15 16 1
11 18 19 1
12 19 20 1
13 8 9 1
14 20 21 1
15 21 22 1
16 4 5 1
17 22 23 1
18 23 24 1
19 9 10 1
20 24 25 1
21 25 26 1
22 2 3 1
23 26 27 1
24 27 28 1
25 10 11 1
26 28 29 1
27 29 30 1
28 5 6 1
29 11 12 1
30 32 33 1 #Down
31 32 34 1
32 32 35 1
33 36 33 1 #Down
34 34 37 1
35 35 38 1
36 35 39 1 #Down
37 36 40 1
38 36 41 1
39 37 42 1
40 37 43 1 #Up
41 38 44 1 #Up
42 40 45 1
43 41 46 1
44 41 47 1 #Down
45 42 48 1 #Down
46 43 49 1
47 45 50 1
48 45 51 1 #Up
49 46 52 1 #Up
50 49 53 1
51 50 54 1 #Down
52 51 55 1
53 53 56 1
54 53 57 2
55 55 58 1
56 56 59 1
57 58 60 1
58 58 61 2
59 60 1 1
60 38 42 1
61 46 50 1
62 59 31 1
63 16 62 1
64 62 63 1
65 63 64 1
66 64 65 1
67 30 66 1
68 66 67 1
69 67 68 1
70 68 69 1
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