COMPOUND: C21849
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Entry
C21849 Compound
Name
4-O-(2-N-Acetyl-beta-D-glucosaminyl-D-ribitylphospho)n-di[(2R)-1-glycerophospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Formula
C77H132N2O27P4(C13H24NO12P)n
Structure
Mol file
KCF file
DB search
Remark
Same as:
G13176
Reaction
R12014
Pathway
map00552
Teichoic acid biosynthesis
Enzyme
2.4.1.355
LinkDB
All DBs
KCF data
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ATOM 137
1 C1y C 10.2200 -15.1900
2 C1y C 10.2200 -13.7900
3 C1y C 9.0300 -13.0900
4 C1y C 7.7700 -13.7900
5 C1y C 7.8400 -15.1900
6 O2x O 9.0300 -15.8900
7 C1b C 11.4800 -15.8900
8 O1a O 12.6700 -15.1900
9 O1a O 11.4100 -13.0900
10 N1b N 6.5800 -13.0900
11 O1a O 8.9600 -11.6900
12 C5a C 5.3900 -13.7900
13 C1a C 4.2000 -13.0900
14 O5a O 5.3900 -15.1900
15 C1b C 48.0900 -11.1300
16 C1b C 47.0400 -11.8300
17 C2c C 45.7800 -11.1300
18 C1a C 45.7800 -9.7300
19 C1b C 44.5900 -13.2300
20 C2b C 44.5900 -11.8300
21 O2b O 42.8400 -14.2800
22 C1a C 61.8100 -11.8300
23 C2c C 60.5500 -11.1300
24 C2b C 59.2900 -11.8300
25 C1a C 60.5500 -9.7300
26 C1b C 58.0300 -11.1300
27 C1b C 56.8400 -11.8300
28 C2c C 55.5800 -11.1300
29 C2b C 54.3200 -11.8300
30 C1a C 55.5800 -9.7300
31 C1b C 53.0600 -11.1300
32 C1b C 51.8700 -11.8300
33 C2c C 50.6100 -11.1300
34 C2b C 49.3500 -11.8300
35 C1a C 50.6100 -9.7300
36 P1b P 41.3700 -14.2800
37 O2c O 39.9000 -14.2800
38 O1c O 41.3700 -12.8100
39 O1c O 41.3700 -15.7500
40 P1b P 38.4300 -14.2800
41 O2b O 36.9600 -14.2800
42 O1c O 38.4300 -12.8100
43 O1c O 38.4300 -15.7500
44 C1y C 35.7700 -14.9800
45 O2x O 34.5800 -14.2800
46 C1y C 33.3200 -14.9800
47 C1y C 33.3200 -16.3800
48 C1y C 34.5100 -17.0800
49 C1y C 35.7700 -16.3800
50 C1b C 32.1300 -14.2800
51 O1a O 34.5100 -18.4800
52 O2a O 32.1300 -17.0800
53 N1b N 36.9600 -17.0800
54 C5a C 36.9600 -18.4800
55 O5a O 35.7700 -19.1800
56 C1a C 38.1500 -19.1800
57 C1y C 30.9400 -17.7800
58 O2x O 29.7500 -17.0800
59 C1y C 28.4900 -17.7800
60 C1y C 28.4900 -19.1800
61 C1y C 29.6800 -19.8800
62 C1y C 30.9400 -19.1800
63 C1b C 27.3000 -17.0800
64 O1a O 29.6800 -21.2800
65 N1b N 32.1300 -19.8800
66 O2b O 27.3000 -19.8800
67 O1a O 27.3000 -15.6800
68 C5a C 32.1300 -21.2800
69 O5a O 30.9400 -21.9800
70 C1a C 33.3200 -21.9800
71 O1a O 32.1300 -12.8800
72 P1b P 25.9000 -19.8800
73 O1c O 25.9000 -18.4800
74 O1c O 25.9000 -21.2800
75 O2b O 24.5000 -19.8800
76 C1b C 23.3100 -20.5800
77 C1c C 22.0500 -19.8800
78 C1b C 20.8600 -20.5800
79 O2b O 19.6700 -19.8800
80 O1a O 22.0500 -18.4800
81 P1b P 18.2700 -19.8800
82 O1c O 18.2700 -18.4800
83 O1c O 18.2700 -21.2800
84 O2b O 16.8700 -19.8800
85 C1b C 15.6800 -20.5800
86 C1c C 14.4200 -19.8800
87 C1b C 13.2300 -20.5800
88 O2b O 12.0400 -19.8800
89 O1a O 14.4200 -18.4800
90 P1b P 10.5700 -19.8800
91 O1c O 10.5700 -18.4800
92 O1c O 10.5700 -21.2800
93 O2b O 9.1700 -19.8800
94 C1b C 7.9800 -20.5800
95 C1c C 6.7200 -19.8800
96 C1c C 5.5300 -20.5800
97 C1c C 4.3400 -19.8800
98 O2a O 6.7200 -18.4800
99 C1b C 3.1500 -20.5800
100 O1a O 5.5300 -21.9800
101 O1a O 1.9600 -19.8800
102 O1a O 4.3400 -18.4100
103 C1b C 47.0400 -11.8300
104 C2c C 45.7800 -11.1300
105 C1a C 45.7800 -9.7300
106 C1b C 44.5900 -13.2300
107 C2b C 44.5900 -11.8300
108 C1b C 47.0400 -11.8300
109 C2c C 45.7800 -11.1300
110 C1a C 45.7800 -9.7300
111 C1b C 44.5900 -13.2300
112 C2b C 44.5900 -11.8300
113 C1b C 47.0400 -11.8300
114 C2c C 45.7800 -11.1300
115 C1a C 45.7800 -9.7300
116 C1b C 44.5900 -13.2300
117 C2b C 44.5900 -11.8300
118 C1b C 47.0400 -11.8300
119 C2c C 45.7800 -11.1300
120 C1a C 45.7800 -9.7300
121 C1b C 44.5900 -13.2300
122 C2b C 44.5900 -11.8300
123 C1b C 47.0400 -11.8300
124 C2c C 45.7800 -11.1300
125 C1a C 45.7800 -9.7300
126 C1b C 44.5900 -13.2300
127 C2b C 44.5900 -11.8300
128 C1b C 47.0400 -11.8300
129 C2c C 45.7800 -11.1300
130 C1a C 45.7800 -9.7300
131 C1b C 44.5900 -13.2300
132 C2b C 44.5900 -11.8300
133 C1b C 47.0400 -11.8300
134 C2c C 45.7800 -11.1300
135 C1a C 45.7800 -9.7300
136 C1b C 44.5900 -13.2300
137 C2b C 44.5900 -11.8300
BOND 139
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 7 8 1
9 2 9 1 #Down
10 4 10 1 #Down
11 3 11 1 #Up
12 10 12 1
13 12 13 1
14 12 14 2
15 26 27 1
16 27 28 1
17 28 29 2
18 28 30 1
19 29 31 1
20 24 26 1
21 22 23 1
22 23 24 2
23 31 32 1
24 32 33 1
25 33 34 2
26 33 35 1
27 34 15 1
28 23 25 1
29 21 36 1
30 36 37 1
31 36 38 1
32 36 39 2
33 37 40 1
34 40 41 1
35 40 42 1
36 40 43 2
37 44 41 1 #Down
38 44 45 1
39 45 46 1
40 46 47 1
41 47 48 1
42 48 49 1
43 44 49 1
44 46 50 1 #Up
45 48 51 1 #Up
46 47 52 1 #Down
47 49 53 1 #Down
48 53 54 1
49 54 55 2
50 54 56 1
51 57 52 1 #Up
52 57 58 1
53 58 59 1
54 59 60 1
55 60 61 1
56 61 62 1
57 57 62 1
58 59 63 1 #Up
59 61 64 1 #Up
60 62 65 1 #Up
61 60 66 1 #Down
62 63 67 1
63 65 68 1
64 68 69 2
65 68 70 1
66 50 71 1
67 66 72 1
68 72 73 2
69 72 74 1
70 72 75 1
71 75 76 1
72 76 77 1
73 77 78 1
74 78 79 1
75 77 80 1 #Up
76 81 82 2
77 81 83 1
78 81 84 1
79 84 85 1
80 85 86 1
81 86 87 1
82 87 88 1
83 86 89 1 #Up
84 79 81 1
85 90 91 2
86 90 92 1
87 90 93 1
88 93 94 1
89 94 95 1
90 95 96 1
91 96 97 1
92 95 98 1 #Down
93 97 99 1
94 96 100 1 #Up
95 99 101 1
96 88 90 1
97 97 102 1 #Down
98 5 98 1 #Up
99 15 16 1
100 17 18 1
101 17 16 1
102 19 20 1
103 20 17 2
104 19 103 1
105 104 105 1
106 104 103 1
107 106 107 1
108 107 104 2
109 106 108 1
110 109 110 1
111 109 108 1
112 111 112 1
113 112 109 2
114 111 113 1
115 114 115 1
116 114 113 1
117 116 117 1
118 117 114 2
119 116 118 1
120 119 120 1
121 119 118 1
122 121 122 1
123 122 119 2
124 121 123 1
125 124 125 1
126 124 123 1
127 126 127 1
128 127 124 2
129 126 128 1
130 129 130 1
131 129 128 1
132 131 132 1
133 132 129 2
134 131 133 1
135 134 135 1
136 134 133 1
137 136 137 1
138 137 134 2
139 136 21 1
BRACKET 1 44.2400 -14.3500 44.2400 -9.1000
1 47.1800 -9.1000 47.1800 -14.3500
1 8
ORIGINAL 1 16 17 18 19 20
REPEAT 1 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118
1 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134
1 135 136 137
2 2.9400 -23.2400 2.9400 -16.8700
2 12.8100 -16.8700 12.8100 -23.2400
2 n
ORIGINAL 2 1 2 3 4 5 6 7 8 9 10 11 12 13 14 88 90
2 91 92 93 94 95 96 97 98 99 100 102
REPEAT 2
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