| Entry |
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| Name |
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine;
Und-PP-MurNAc-(GlcNAc)-L-Ala-D-isoglutaminyl-L-Lys-(Gly)3-D-Ala-D-Ala
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| Formula |
C100H166N12O28P2
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| Exact mass |
2045.1410
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| Mol weight |
2046.40
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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
C17542 Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-(glycyl)3-D-alanyl-D-alanine
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 142
1 C1y C 34.9300 -19.6000
2 C1y C 33.8100 -18.9000
3 C1y C 36.1200 -18.9000
4 O2a O 34.9300 -23.0300
5 C1y C 33.8100 -17.5700
6 O2a O 31.6400 -19.1100
7 C1y C 36.1200 -17.5700
8 N1b N 37.3100 -19.6000
9 C1c C 33.8100 -23.6600
10 O2x O 35.0000 -16.8700
11 C1b C 32.6200 -16.8700
12 C1y C 29.8200 -20.2300
13 O2b O 37.3100 -16.8700
14 C5a C 37.2400 -20.9300
15 C5a C 33.8100 -24.9900
16 C1a C 32.6200 -23.0300
17 O1a O 32.6200 -15.5400
18 C1y C 29.8200 -21.5600
19 O2x O 28.6300 -19.5300
20 C1a C 36.0500 -21.5600
21 O5a O 38.4300 -21.6300
22 N1b N 32.6200 -25.6900
23 O5a O 34.9300 -25.6900
24 C1y C 28.6300 -22.2600
25 N1b N 30.9400 -22.2600
26 C1y C 27.5100 -20.1600
27 C1c C 31.4300 -26.3900
28 C1y C 27.5100 -21.5600
29 O1a O 28.6300 -23.5900
30 C5a C 32.1300 -21.5600
31 C1b C 26.3200 -19.5300
32 C5a C 30.3100 -25.6200
33 C1a C 31.4300 -27.7200
34 O1a O 26.3200 -22.1900
35 C1a C 33.3200 -22.1900
36 O5a O 32.1300 -20.1600
37 O1a O 26.3200 -18.2000
38 N1b N 29.1200 -26.3200
39 O5a O 30.3100 -24.2900
40 C1c C 27.9300 -25.6200
41 C1b C 26.7400 -26.3200
42 C5a C 27.5800 -24.2900
43 C1b C 25.5500 -25.6200
44 N1a N 26.1800 -24.5000
45 O5a O 27.5800 -22.9600
46 C5a C 24.3600 -26.3200
47 N1b N 23.1700 -25.6200
48 O5a O 24.3600 -27.6500
49 C1c C 22.0500 -26.3200
50 C5a C 20.8600 -25.6200
51 C1b C 21.9800 -27.6500
52 N1b N 19.6700 -26.2500
53 O5a O 20.8600 -24.2200
54 C1b C 20.7900 -28.3500
55 C1c C 18.4800 -26.9500
56 C1b C 20.7900 -29.6800
57 C5a C 17.2900 -26.2500
58 C1a C 18.4800 -28.2800
59 C1b C 19.6000 -30.3800
60 N1b N 16.1000 -26.9500
61 O5a O 17.2900 -24.8500
62 N1b N 19.6000 -31.7100
63 C1c C 14.9800 -27.5800
64 C6a C 13.7900 -26.8800
65 C1a C 14.9800 -28.9800
66 O6a O 12.6000 -27.5800
67 O6a O 13.7900 -25.5500
68 C1b C 48.4400 -13.7200
69 C1b C 47.3900 -14.4200
70 C2c C 46.1300 -13.7200
71 C1a C 46.1300 -12.3200
72 C1b C 44.9400 -15.8200
73 C2b C 44.9400 -14.4200
74 O2b O 43.1900 -16.8700
75 C1a C 62.1600 -14.4200
76 C2c C 60.9000 -13.7200
77 C2b C 59.6400 -14.4200
78 C1a C 60.9000 -12.3200
79 C1b C 58.3800 -13.7200
80 C1b C 57.1900 -14.4200
81 C2c C 55.9300 -13.7200
82 C2b C 54.6700 -14.4200
83 C1a C 55.9300 -12.3200
84 C1b C 53.4100 -13.7200
85 C1b C 52.2200 -14.4200
86 C2c C 50.9600 -13.7200
87 C2b C 49.7000 -14.4200
88 C1a C 50.9600 -12.3200
89 P1b P 41.7200 -16.8700
90 O2c O 40.2500 -16.8700
91 O1c O 41.7200 -15.4000
92 O1c O 41.7200 -18.3400
93 P1b P 38.7800 -16.8700
94 O1c O 38.7800 -15.4000
95 O1c O 38.7800 -18.3400
96 C5a C 20.8124 -32.4100
97 C1b C 22.0249 -31.7100
98 N1b N 23.2373 -32.4100
99 O5a O 20.8124 -33.8100
100 C5a C 24.4524 -31.7100
101 C1b C 25.6649 -32.4100
102 N1b N 26.8773 -31.7100
103 C5a C 28.0897 -32.4100
104 C1b C 29.3022 -31.7100
105 N1a N 30.5146 -32.4100
106 O5a O 24.4524 -30.3100
107 O5a O 28.0897 -33.8100
108 C1b C 47.3900 -14.4200
109 C2c C 46.1300 -13.7200
110 C1a C 46.1300 -12.3200
111 C1b C 44.9400 -15.8200
112 C2b C 44.9400 -14.4200
113 C1b C 47.3900 -14.4200
114 C2c C 46.1300 -13.7200
115 C1a C 46.1300 -12.3200
116 C1b C 44.9400 -15.8200
117 C2b C 44.9400 -14.4200
118 C1b C 47.3900 -14.4200
119 C2c C 46.1300 -13.7200
120 C1a C 46.1300 -12.3200
121 C1b C 44.9400 -15.8200
122 C2b C 44.9400 -14.4200
123 C1b C 47.3900 -14.4200
124 C2c C 46.1300 -13.7200
125 C1a C 46.1300 -12.3200
126 C1b C 44.9400 -15.8200
127 C2b C 44.9400 -14.4200
128 C1b C 47.3900 -14.4200
129 C2c C 46.1300 -13.7200
130 C1a C 46.1300 -12.3200
131 C1b C 44.9400 -15.8200
132 C2b C 44.9400 -14.4200
133 C1b C 47.3900 -14.4200
134 C2c C 46.1300 -13.7200
135 C1a C 46.1300 -12.3200
136 C1b C 44.9400 -15.8200
137 C2b C 44.9400 -14.4200
138 C1b C 47.3900 -14.4200
139 C2c C 46.1300 -13.7200
140 C1a C 46.1300 -12.3200
141 C1b C 44.9400 -15.8200
142 C2b C 44.9400 -14.4200
BOND 143
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 62 96 1
92 96 97 1
93 97 98 1
94 96 99 2
95 98 100 1
96 100 101 1
97 101 102 1
98 102 103 1
99 103 104 1
100 104 105 1
101 100 106 2
102 103 107 2
103 68 69 1
104 70 71 1
105 70 69 1
106 72 73 1
107 73 70 2
108 72 108 1
109 109 110 1
110 109 108 1
111 111 112 1
112 112 109 2
113 111 113 1
114 114 115 1
115 114 113 1
116 116 117 1
117 117 114 2
118 116 118 1
119 119 120 1
120 119 118 1
121 121 122 1
122 122 119 2
123 121 123 1
124 124 125 1
125 124 123 1
126 126 127 1
127 127 124 2
128 126 128 1
129 129 130 1
130 129 128 1
131 131 132 1
132 132 129 2
133 131 133 1
134 134 135 1
135 134 133 1
136 136 137 1
137 137 134 2
138 136 138 1
139 139 140 1
140 139 138 1
141 141 142 1
142 142 139 2
143 141 74 1
BRACKET 1 44.6600 -16.8700 44.6600 -11.6900
1 47.6000 -11.6900 47.6000 -16.8700
1 8
ORIGINAL 1 69 70 71 72 73
REPEAT 1 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123
1 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139
1 140 141 142
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