 | | COMPOUND: C04881 | |
| Entry |
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| Name |
N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol;
N-Acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
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| Formula |
C71H118N2O17P2
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| Exact mass |
1332.7906
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| Mol weight |
1333.6473
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C04881 N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol
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| Other DBs |
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| KCF data |
ATOM 92
1 C1b C 22.5400 -11.7600
2 C1b C 21.4900 -12.4600
3 C2c C 20.2300 -11.7600
4 C1a C 20.2300 -10.3600
5 C1b C 19.0400 -13.8600
6 C2b C 19.0400 -12.4600
7 O2b O 17.2900 -14.9100
8 C1a C 36.2600 -12.4600
9 C2c C 35.0000 -11.7600
10 C2b C 33.7400 -12.4600
11 C1a C 35.0000 -10.3600
12 C1b C 32.4800 -11.7600
13 C1b C 31.2900 -12.4600
14 C2c C 30.0300 -11.7600
15 C2b C 28.7700 -12.4600
16 C1a C 30.0300 -10.3600
17 C1b C 27.5100 -11.7600
18 C1b C 26.3200 -12.4600
19 C2c C 25.0600 -11.7600
20 C2b C 23.8000 -12.4600
21 C1a C 25.0600 -10.3600
22 P1b P 15.8200 -14.9100
23 O2c O 14.3500 -14.9100
24 O1c O 15.8200 -13.4400
25 O1c O 15.8200 -16.3800
26 P1b P 12.8800 -14.9100
27 O2b O 11.4100 -14.9100
28 O1c O 12.8800 -13.4400
29 O1c O 12.8800 -16.3800
30 C1y C 10.1976 -15.6100
31 O2x O 9.0021 -14.9196
32 C1y C 7.7896 -15.6195
33 C1y C 7.7894 -17.0195
34 C1y C 8.9849 -17.7099
35 C1y C 10.1974 -17.0100
36 C1b C 6.5771 -14.9195
37 O1a O 8.9849 -19.1099
38 O2a O 6.5770 -17.7195
39 N1b N 11.4098 -17.7100
40 C5a C 11.4098 -19.1100
41 O5a O 10.1974 -19.8100
42 C1a C 12.6223 -19.8100
43 C1y C 5.3646 -18.4195
44 O2x O 4.1674 -17.7280
45 C1y C 2.9548 -18.4278
46 C1y C 2.9545 -19.8278
47 C1y C 4.1517 -20.5193
48 C1y C 5.3643 -19.8195
49 C1b C 1.7424 -17.7278
50 O1a O 4.1517 -21.9193
51 N1b N 6.5767 -20.5195
52 O1a O 1.7421 -20.5278
53 O1a O 1.7424 -16.3278
54 C5a C 6.5767 -21.9195
55 O5a O 5.3643 -22.6195
56 C1a C 7.7892 -22.6195
57 O1a O 6.5771 -13.5195
58 C1b C 21.4900 -12.4600
59 C2c C 20.2300 -11.7600
60 C1a C 20.2300 -10.3600
61 C1b C 19.0400 -13.8600
62 C2b C 19.0400 -12.4600
63 C1b C 21.4900 -12.4600
64 C2c C 20.2300 -11.7600
65 C1a C 20.2300 -10.3600
66 C1b C 19.0400 -13.8600
67 C2b C 19.0400 -12.4600
68 C1b C 21.4900 -12.4600
69 C2c C 20.2300 -11.7600
70 C1a C 20.2300 -10.3600
71 C1b C 19.0400 -13.8600
72 C2b C 19.0400 -12.4600
73 C1b C 21.4900 -12.4600
74 C2c C 20.2300 -11.7600
75 C1a C 20.2300 -10.3600
76 C1b C 19.0400 -13.8600
77 C2b C 19.0400 -12.4600
78 C1b C 21.4900 -12.4600
79 C2c C 20.2300 -11.7600
80 C1a C 20.2300 -10.3600
81 C1b C 19.0400 -13.8600
82 C2b C 19.0400 -12.4600
83 C1b C 21.4900 -12.4600
84 C2c C 20.2300 -11.7600
85 C1a C 20.2300 -10.3600
86 C1b C 19.0400 -13.8600
87 C2b C 19.0400 -12.4600
88 C1b C 21.4900 -12.4600
89 C2c C 20.2300 -11.7600
90 C1a C 20.2300 -10.3600
91 C1b C 19.0400 -13.8600
92 C2b C 19.0400 -12.4600
BOND 93
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 39 40 1
35 40 41 2
36 40 42 1
37 43 38 1 #Up
38 43 44 1
39 44 45 1
40 45 46 1
41 46 47 1
42 47 48 1
43 43 48 1
44 45 49 1 #Up
45 47 50 1 #Up
46 48 51 1 #Up
47 46 52 1 #Down
48 49 53 1
49 51 54 1
50 54 55 2
51 54 56 1
52 36 57 1
53 1 2 1
54 3 4 1
55 3 2 1
56 5 6 1
57 6 3 2
58 5 58 1
59 59 60 1
60 59 58 1
61 61 62 1
62 62 59 2
63 61 63 1
64 64 65 1
65 64 63 1
66 66 67 1
67 67 64 2
68 66 68 1
69 69 70 1
70 69 68 1
71 71 72 1
72 72 69 2
73 71 73 1
74 74 75 1
75 74 73 1
76 76 77 1
77 77 74 2
78 76 78 1
79 79 80 1
80 79 78 1
81 81 82 1
82 82 79 2
83 81 83 1
84 84 85 1
85 84 83 1
86 86 87 1
87 87 84 2
88 86 88 1
89 89 90 1
90 89 88 1
91 91 92 1
92 92 89 2
93 91 7 1
BRACKET 1 18.7600 -14.9800 18.7600 -9.7300
1 21.7000 -9.7300 21.7000 -14.9800
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73
1 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89
1 90 91 92
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