Entry |
|
Name |
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
|
Formula |
C69H115NO17P2
|
Exact mass |
1291.764
|
Mol weight |
1292.5954
|
Structure |
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Remark |
|
Reaction |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C04830 beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
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Other DBs |
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LinkDB |
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KCF data |
ATOM 89
1 C1b C 22.5400 -12.1100
2 C1b C 21.4900 -12.8100
3 C2c C 20.2300 -12.1100
4 C1a C 20.2300 -10.7100
5 C1b C 19.0400 -14.2100
6 C2b C 19.0400 -12.8100
7 O2b O 17.2900 -15.2600
8 C1a C 36.2600 -12.8100
9 C2c C 35.0000 -12.1100
10 C2b C 33.7400 -12.8100
11 C1a C 35.0000 -10.7100
12 C1b C 32.4800 -12.1100
13 C1b C 31.2900 -12.8100
14 C2c C 30.0300 -12.1100
15 C2b C 28.7700 -12.8100
16 C1a C 30.0300 -10.7100
17 C1b C 27.5100 -12.1100
18 C1b C 26.3200 -12.8100
19 C2c C 25.0600 -12.1100
20 C2b C 23.8000 -12.8100
21 C1a C 25.0600 -10.7100
22 P1b P 15.8200 -15.2600
23 O2c O 14.3500 -15.2600
24 O1c O 15.8200 -13.7900
25 O1c O 15.8200 -16.7300
26 P1b P 12.8800 -15.2600
27 O2b O 11.4100 -15.2600
28 O1c O 12.8800 -13.7900
29 O1c O 12.8800 -16.7300
30 C1y C 10.1976 -15.9600
31 O2x O 9.0021 -15.2696
32 C1y C 7.7896 -15.9695
33 C1y C 7.7894 -17.3695
34 C1y C 8.9849 -18.0599
35 C1y C 10.1974 -17.3600
36 C1b C 6.5771 -15.2695
37 O1a O 8.9849 -19.4599
38 O2a O 6.5770 -18.0695
39 N1b N 11.4098 -18.0600
40 O1a O 5.3647 -15.9695
41 C5a C 11.4098 -19.4600
42 O5a O 10.1974 -20.1600
43 C1a C 12.6223 -20.1600
44 C1y C 5.3646 -18.7695
45 O2x O 4.1674 -18.0780
46 C1y C 2.9548 -18.7778
47 C1y C 2.9545 -20.1778
48 C1y C 4.1517 -20.8693
49 C1y C 5.3643 -20.1695
50 C1b C 1.7424 -18.0778
51 O1a O 4.1517 -22.2693
52 O1a O 1.7424 -16.6778
53 O1a O 1.7421 -20.8778
54 O1a O 6.5767 -20.8695
55 C1b C 21.4900 -12.8100
56 C2c C 20.2300 -12.1100
57 C1a C 20.2300 -10.7100
58 C1b C 19.0400 -14.2100
59 C2b C 19.0400 -12.8100
60 C1b C 21.4900 -12.8100
61 C2c C 20.2300 -12.1100
62 C1a C 20.2300 -10.7100
63 C1b C 19.0400 -14.2100
64 C2b C 19.0400 -12.8100
65 C1b C 21.4900 -12.8100
66 C2c C 20.2300 -12.1100
67 C1a C 20.2300 -10.7100
68 C1b C 19.0400 -14.2100
69 C2b C 19.0400 -12.8100
70 C1b C 21.4900 -12.8100
71 C2c C 20.2300 -12.1100
72 C1a C 20.2300 -10.7100
73 C1b C 19.0400 -14.2100
74 C2b C 19.0400 -12.8100
75 C1b C 21.4900 -12.8100
76 C2c C 20.2300 -12.1100
77 C1a C 20.2300 -10.7100
78 C1b C 19.0400 -14.2100
79 C2b C 19.0400 -12.8100
80 C1b C 21.4900 -12.8100
81 C2c C 20.2300 -12.1100
82 C1a C 20.2300 -10.7100
83 C1b C 19.0400 -14.2100
84 C2b C 19.0400 -12.8100
85 C1b C 21.4900 -12.8100
86 C2c C 20.2300 -12.1100
87 C1a C 20.2300 -10.7100
88 C1b C 19.0400 -14.2100
89 C2b C 19.0400 -12.8100
BOND 90
1 12 13 1
2 13 14 1
3 14 15 2
4 14 16 1
5 15 17 1
6 10 12 1
7 8 9 1
8 9 10 2
9 17 18 1
10 18 19 1
11 19 20 2
12 19 21 1
13 20 1 1
14 9 11 1
15 7 22 1
16 22 23 1
17 22 24 1
18 22 25 2
19 23 26 1
20 26 27 1
21 26 28 1
22 26 29 2
23 30 27 1 #Down
24 30 31 1
25 31 32 1
26 32 33 1
27 33 34 1
28 34 35 1
29 30 35 1
30 32 36 1 #Up
31 34 37 1 #Up
32 33 38 1 #Down
33 35 39 1 #Down
34 36 40 1
35 39 41 1
36 41 42 2
37 41 43 1
38 44 38 1 #Up
39 44 45 1
40 45 46 1
41 46 47 1
42 47 48 1
43 48 49 1
44 44 49 1
45 46 50 1 #Up
46 48 51 1 #Up
47 50 52 1
48 47 53 1 #Down
49 49 54 1 #Down
50 1 2 1
51 3 4 1
52 3 2 1
53 5 6 1
54 6 3 2
55 5 55 1
56 56 57 1
57 56 55 1
58 58 59 1
59 59 56 2
60 58 60 1
61 61 62 1
62 61 60 1
63 63 64 1
64 64 61 2
65 63 65 1
66 66 67 1
67 66 65 1
68 68 69 1
69 69 66 2
70 68 70 1
71 71 72 1
72 71 70 1
73 73 74 1
74 74 71 2
75 73 75 1
76 76 77 1
77 76 75 1
78 78 79 1
79 79 76 2
80 78 80 1
81 81 82 1
82 81 80 1
83 83 84 1
84 84 81 2
85 83 85 1
86 86 87 1
87 86 85 1
88 88 89 1
89 89 86 2
90 88 7 1
BRACKET 1 18.7600 -15.3300 18.7600 -10.0800
1 21.7000 -10.0800 21.7000 -15.3300
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70
1 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86
1 87 88 89
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