COMPOUND: C21508
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Entry
C21508 Compound
Name
4-O-(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(C5H11O7P)n
Structure
Mol file
KCF file
DB search
Remark
Same as:
G13173
Reaction
R11621
R12014
R12037
Pathway
map00552
Teichoic acid biosynthesis
Enzyme
2.4.1.70
2.4.1.355
2.7.8.14
Other DBs
PubChem:
333497491
LinkDB
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KCF data
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ATOM 123
1 C1b C 47.8800 -11.7600
2 C1b C 46.8300 -12.4600
3 C2c C 45.5700 -11.7600
4 C1a C 45.5700 -10.3600
5 C1b C 44.3800 -13.8600
6 C2b C 44.3800 -12.4600
7 O2b O 42.6300 -14.9100
8 C1a C 61.6000 -12.4600
9 C2c C 60.3400 -11.7600
10 C2b C 59.0800 -12.4600
11 C1a C 60.3400 -10.3600
12 C1b C 57.8200 -11.7600
13 C1b C 56.6300 -12.4600
14 C2c C 55.3700 -11.7600
15 C2b C 54.1100 -12.4600
16 C1a C 55.3700 -10.3600
17 C1b C 52.8500 -11.7600
18 C1b C 51.6600 -12.4600
19 C2c C 50.4000 -11.7600
20 C2b C 49.1400 -12.4600
21 C1a C 50.4000 -10.3600
22 P1b P 41.1600 -14.9100
23 O2c O 39.6900 -14.9100
24 O1c O 41.1600 -13.4400
25 O1c O 41.1600 -16.3800
26 P1b P 38.2200 -14.9100
27 O2b O 36.7500 -14.9100
28 O1c O 38.2200 -13.4400
29 O1c O 38.2200 -16.3800
30 C1y C 35.5600 -15.6100
31 O2x O 34.3700 -14.9100
32 C1y C 33.1100 -15.6100
33 C1y C 33.1100 -17.0100
34 C1y C 34.3000 -17.7100
35 C1y C 35.5600 -17.0100
36 C1b C 31.9200 -14.9100
37 O1a O 34.3000 -19.1100
38 O2a O 31.9200 -17.7100
39 N1b N 36.7500 -17.7100
40 C5a C 36.7500 -19.1100
41 O5a O 35.5600 -19.8100
42 C1a C 37.9400 -19.8100
43 C1y C 30.7300 -18.4100
44 O2x O 29.5400 -17.7100
45 C1y C 28.2800 -18.4100
46 C1y C 28.2800 -19.8100
47 C1y C 29.4700 -20.5100
48 C1y C 30.7300 -19.8100
49 C1b C 27.0900 -17.7100
50 O1a O 29.4700 -21.9100
51 N1b N 31.9200 -20.5100
52 O2b O 27.0900 -20.5100
53 O1a O 27.0900 -16.3100
54 C5a C 31.9200 -21.9100
55 O5a O 30.7300 -22.6100
56 C1a C 33.1100 -22.6100
57 O1a O 31.9200 -13.5100
58 P1b P 25.6900 -20.5100
59 O1c O 25.6900 -19.1100
60 O1c O 25.6900 -21.9100
61 O2b O 24.2900 -20.5100
62 C1b C 23.1000 -21.2100
63 C1c C 21.8400 -20.5100
64 C1b C 20.6500 -21.2100
65 O2b O 19.4600 -20.5100
66 O1a O 21.8400 -19.1100
67 P1b P 18.0600 -20.5100
68 O1c O 18.0600 -19.1100
69 O1c O 18.0600 -21.9100
70 O2b O 16.6600 -20.5100
71 C1b C 15.4700 -21.2100
72 C1c C 14.2100 -20.5100
73 C1b C 13.0200 -21.2100
74 O2b O 11.8300 -20.5100
75 O1a O 14.2100 -19.1100
76 P1b P 10.3917 -20.5028
77 O1c O 10.3917 -19.0985
78 O1c O 10.3917 -21.9071
79 O2b O 8.9874 -20.5028
80 C1b C 7.7938 -21.2049
81 C1c C 6.5299 -20.5028
82 C1c C 5.3363 -21.2049
83 C1c C 4.1426 -20.5028
84 O1a O 6.5299 -19.0985
85 O1a O 4.1426 -19.0985
86 C1b C 2.9490 -21.2049
87 O1a O 5.3363 -22.6092
88 O1a O 1.7554 -20.5028
89 C1b C 46.8300 -12.4600
90 C2c C 45.5700 -11.7600
91 C1a C 45.5700 -10.3600
92 C1b C 44.3800 -13.8600
93 C2b C 44.3800 -12.4600
94 C1b C 46.8300 -12.4600
95 C2c C 45.5700 -11.7600
96 C1a C 45.5700 -10.3600
97 C1b C 44.3800 -13.8600
98 C2b C 44.3800 -12.4600
99 C1b C 46.8300 -12.4600
100 C2c C 45.5700 -11.7600
101 C1a C 45.5700 -10.3600
102 C1b C 44.3800 -13.8600
103 C2b C 44.3800 -12.4600
104 C1b C 46.8300 -12.4600
105 C2c C 45.5700 -11.7600
106 C1a C 45.5700 -10.3600
107 C1b C 44.3800 -13.8600
108 C2b C 44.3800 -12.4600
109 C1b C 46.8300 -12.4600
110 C2c C 45.5700 -11.7600
111 C1a C 45.5700 -10.3600
112 C1b C 44.3800 -13.8600
113 C2b C 44.3800 -12.4600
114 C1b C 46.8300 -12.4600
115 C2c C 45.5700 -11.7600
116 C1a C 45.5700 -10.3600
117 C1b C 44.3800 -13.8600
118 C2b C 44.3800 -12.4600
119 C1b C 46.8300 -12.4600
120 C2c C 45.5700 -11.7600
121 C1a C 45.5700 -10.3600
122 C1b C 44.3800 -13.8600
123 C2b C 44.3800 -12.4600
BOND 124
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 52 58 1
54 58 59 2
55 58 60 1
56 58 61 1
57 61 62 1
58 62 63 1
59 63 64 1
60 64 65 1
61 63 66 1 #Up
62 67 68 2
63 67 69 1
64 67 70 1
65 70 71 1
66 71 72 1
67 72 73 1
68 73 74 1
69 72 75 1 #Up
70 65 67 1
71 76 77 2
72 76 78 1
73 76 79 1
74 79 80 1
75 80 81 1
76 81 82 1
77 82 83 1
78 81 84 1 #Down
79 83 85 1 #Down
80 83 86 1
81 82 87 1 #Up
82 86 88 1
83 74 76 1
84 1 2 1
85 3 4 1
86 3 2 1
87 5 6 1
88 6 3 2
89 5 89 1
90 90 91 1
91 90 89 1
92 92 93 1
93 93 90 2
94 92 94 1
95 95 96 1
96 95 94 1
97 97 98 1
98 98 95 2
99 97 99 1
100 100 101 1
101 100 99 1
102 102 103 1
103 103 100 2
104 102 104 1
105 105 106 1
106 105 104 1
107 107 108 1
108 108 105 2
109 107 109 1
110 110 111 1
111 110 109 1
112 112 113 1
113 113 110 2
114 112 114 1
115 115 116 1
116 115 114 1
117 117 118 1
118 118 115 2
119 117 119 1
120 120 121 1
121 120 119 1
122 122 123 1
123 123 120 2
124 122 7 1
BRACKET 1 44.0300 -14.9800 44.0300 -9.7300
1 46.9700 -9.7300 46.9700 -14.9800
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104
1 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120
1 121 122 123
2 2.7300 -23.8700 2.7300 -17.5700
2 12.6000 -17.5700 12.6000 -23.8700
2 n
ORIGINAL 2 74 76 77 78 79 80 81 82 83 84 85 86 87
REPEAT 2
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