| Entry |
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| Name |
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine;
beta-D-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-O-P-Glu-L-Lys-D-Ala-D-Ala-diphospho-ditrans,octacis-undecaprenol
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| Formula |
C94H157N9O25P2
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| Exact mass |
1874.0766
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| Mol weight |
1875.24
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| Structure |
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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
C05894 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 130
1 C1y C 34.9300 -20.6500
2 C1y C 33.8100 -19.9500
3 C1y C 36.1200 -19.9500
4 O2a O 34.9300 -24.0800
5 C1y C 33.8100 -18.6200
6 O2a O 31.6400 -20.1600
7 C1y C 36.1200 -18.6200
8 N1b N 37.3100 -20.6500
9 C1c C 33.8100 -24.7100
10 O2x O 35.0000 -17.9200
11 C1b C 32.6200 -17.9200
12 C1y C 29.8200 -21.2800
13 O2b O 37.3100 -17.9200
14 C5a C 37.2400 -21.9800
15 C5a C 33.8100 -26.0400
16 C1a C 32.6200 -24.0800
17 O1a O 32.6200 -16.5900
18 C1y C 29.8200 -22.6100
19 O2x O 28.6300 -20.5800
20 C1a C 36.0500 -22.6100
21 O5a O 38.4300 -22.6800
22 N1b N 32.6200 -26.7400
23 O5a O 34.9300 -26.7400
24 C1y C 28.6300 -23.3100
25 N1b N 30.9400 -23.3100
26 C1y C 27.5100 -21.2100
27 C1c C 31.4300 -27.4400
28 C1y C 27.5100 -22.6100
29 O1a O 28.6300 -24.6400
30 C5a C 32.1300 -22.6100
31 C1b C 26.3200 -20.5800
32 C5a C 30.3100 -26.6700
33 C1a C 31.4300 -28.7700
34 O1a O 26.3200 -23.2400
35 C1a C 33.3200 -23.2400
36 O5a O 32.1300 -21.2100
37 O1a O 26.3200 -19.2500
38 N1b N 29.1200 -27.3700
39 O5a O 30.3100 -25.3400
40 C1c C 27.9300 -26.6700
41 C1b C 26.7400 -27.3700
42 C5a C 27.5800 -25.3400
43 C1b C 25.5500 -26.6700
44 N1a N 26.1800 -25.5500
45 O5a O 27.5800 -24.0100
46 C5a C 24.3600 -27.3700
47 N1b N 23.1700 -26.6700
48 O5a O 24.3600 -28.7000
49 C1c C 22.0500 -27.3700
50 C5a C 20.8600 -26.6700
51 C1b C 21.9800 -28.7000
52 N1b N 19.6700 -27.3000
53 O5a O 20.8600 -25.2700
54 C1b C 20.7900 -29.4000
55 C1c C 18.4800 -28.0000
56 C1b C 20.7900 -30.7300
57 C5a C 17.2900 -27.3000
58 C1a C 18.4800 -29.3300
59 C1b C 19.6000 -31.4300
60 N1b N 16.1000 -28.0000
61 O5a O 17.2900 -25.9000
62 N1a N 19.6000 -32.7600
63 C1c C 14.9800 -28.6300
64 C6a C 13.7900 -27.9300
65 C1a C 14.9800 -30.0300
66 O6a O 12.6000 -28.6300
67 O6a O 13.7900 -26.6000
68 C1b C 48.4400 -14.7700
69 C1b C 47.3900 -15.4700
70 C2c C 46.1300 -14.7700
71 C1a C 46.1300 -13.3700
72 C1b C 44.9400 -16.8700
73 C2b C 44.9400 -15.4700
74 O2b O 43.1900 -17.9200
75 C1a C 62.1600 -15.4700
76 C2c C 60.9000 -14.7700
77 C2b C 59.6400 -15.4700
78 C1a C 60.9000 -13.3700
79 C1b C 58.3800 -14.7700
80 C1b C 57.1900 -15.4700
81 C2c C 55.9300 -14.7700
82 C2b C 54.6700 -15.4700
83 C1a C 55.9300 -13.3700
84 C1b C 53.4100 -14.7700
85 C1b C 52.2200 -15.4700
86 C2c C 50.9600 -14.7700
87 C2b C 49.7000 -15.4700
88 C1a C 50.9600 -13.3700
89 P1b P 41.7200 -17.9200
90 O2c O 40.2500 -17.9200
91 O1c O 41.7200 -16.4500
92 O1c O 41.7200 -19.3900
93 P1b P 38.7800 -17.9200
94 O1c O 38.7800 -16.4500
95 O1c O 38.7800 -19.3900
96 C1b C 47.3900 -15.4700
97 C2c C 46.1300 -14.7700
98 C1a C 46.1300 -13.3700
99 C1b C 44.9400 -16.8700
100 C2b C 44.9400 -15.4700
101 C1b C 47.3900 -15.4700
102 C2c C 46.1300 -14.7700
103 C1a C 46.1300 -13.3700
104 C1b C 44.9400 -16.8700
105 C2b C 44.9400 -15.4700
106 C1b C 47.3900 -15.4700
107 C2c C 46.1300 -14.7700
108 C1a C 46.1300 -13.3700
109 C1b C 44.9400 -16.8700
110 C2b C 44.9400 -15.4700
111 C1b C 47.3900 -15.4700
112 C2c C 46.1300 -14.7700
113 C1a C 46.1300 -13.3700
114 C1b C 44.9400 -16.8700
115 C2b C 44.9400 -15.4700
116 C1b C 47.3900 -15.4700
117 C2c C 46.1300 -14.7700
118 C1a C 46.1300 -13.3700
119 C1b C 44.9400 -16.8700
120 C2b C 44.9400 -15.4700
121 C1b C 47.3900 -15.4700
122 C2c C 46.1300 -14.7700
123 C1a C 46.1300 -13.3700
124 C1b C 44.9400 -16.8700
125 C2b C 44.9400 -15.4700
126 C1b C 47.3900 -15.4700
127 C2c C 46.1300 -14.7700
128 C1a C 46.1300 -13.3700
129 C1b C 44.9400 -16.8700
130 C2b C 44.9400 -15.4700
BOND 131
1 46 48 2
2 49 47 1 #Up
3 49 50 1
4 49 51 1
5 50 52 1
6 50 53 2
7 51 54 1
8 55 52 1 #Down
9 54 56 1
10 55 57 1
11 55 58 1
12 56 59 1
13 57 60 1
14 57 61 2
15 59 62 1
16 63 60 1 #Down
17 63 64 1
18 63 65 1
19 64 66 1
20 64 67 2
21 7 10 1
22 26 28 1
23 1 2 1
24 1 3 1
25 1 4 1 #Up
26 2 5 1
27 2 6 1 #Down
28 3 7 1
29 3 8 1 #Down
30 4 9 1
31 5 10 1
32 5 11 1 #Up
33 12 6 1 #Up
34 7 13 1 #Down
35 8 14 1
36 9 15 1
37 9 16 1 #Up
38 11 17 1
39 12 18 1
40 12 19 1
41 14 20 1
42 14 21 2
43 15 22 1
44 15 23 2
45 18 24 1
46 18 25 1 #Down
47 19 26 1
48 27 22 1 #Up
49 24 28 1
50 24 29 1 #Up
51 25 30 1
52 26 31 1 #Up
53 27 32 1
54 27 33 1
55 28 34 1 #Down
56 30 35 1
57 30 36 2
58 31 37 1
59 32 38 1
60 32 39 2
61 40 38 1 #Down
62 40 41 1
63 40 42 1
64 41 43 1
65 42 44 1
66 42 45 2
67 43 46 1
68 46 47 1
69 79 80 1
70 80 81 1
71 81 82 2
72 81 83 1
73 82 84 1
74 77 79 1
75 75 76 1
76 76 77 2
77 84 85 1
78 85 86 1
79 86 87 2
80 86 88 1
81 87 68 1
82 76 78 1
83 74 89 1
84 89 90 1
85 89 91 1
86 89 92 2
87 90 93 1
88 93 13 1
89 93 94 1
90 93 95 2
91 68 69 1
92 70 71 1
93 70 69 1
94 72 73 1
95 73 70 2
96 72 96 1
97 97 98 1
98 97 96 1
99 99 100 1
100 100 97 2
101 99 101 1
102 102 103 1
103 102 101 1
104 104 105 1
105 105 102 2
106 104 106 1
107 107 108 1
108 107 106 1
109 109 110 1
110 110 107 2
111 109 111 1
112 112 113 1
113 112 111 1
114 114 115 1
115 115 112 2
116 114 116 1
117 117 118 1
118 117 116 1
119 119 120 1
120 120 117 2
121 119 121 1
122 122 123 1
123 122 121 1
124 124 125 1
125 125 122 2
126 124 126 1
127 127 128 1
128 127 126 1
129 129 130 1
130 130 127 2
131 129 74 1
BRACKET 1 44.6600 -17.9900 44.6600 -12.7400
1 47.6000 -12.7400 47.6000 -17.9900
1 8
ORIGINAL 1 69 70 71 72 73
REPEAT 1 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111
1 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127
1 128 129 130
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