COMPOUND: C22411
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Entry
C22411 Compound
Name
4-O-{Poly[(2R)-glycerophospho]-(2R)-glycerophospho}-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
Formula
C74H125N2O22P3(C3H7O5P)n
Structure
Mol file
KCF file
DB search
Remark
Same as:
G13166
Reaction
R12806
R12807
Pathway
map00552
Teichoic acid biosynthesis
Enzyme
2.4.1.52
2.7.8.12
Other DBs
PubChem:
497619771
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All DBs
KCF data
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ATOM 110
1 C1b C 37.9400 -11.7600
2 C1b C 36.8900 -12.4600
3 C2c C 35.6300 -11.7600
4 C1a C 35.6300 -10.3600
5 C1b C 34.4400 -13.8600
6 C2b C 34.4400 -12.4600
7 O2b O 32.6900 -14.9100
8 C1a C 51.6600 -12.4600
9 C2c C 50.4000 -11.7600
10 C2b C 49.1400 -12.4600
11 C1a C 50.4000 -10.3600
12 C1b C 47.8800 -11.7600
13 C1b C 46.6900 -12.4600
14 C2c C 45.4300 -11.7600
15 C2b C 44.1700 -12.4600
16 C1a C 45.4300 -10.3600
17 C1b C 42.9100 -11.7600
18 C1b C 41.7200 -12.4600
19 C2c C 40.4600 -11.7600
20 C2b C 39.2000 -12.4600
21 C1a C 40.4600 -10.3600
22 P1b P 31.2200 -14.9100
23 O2c O 29.7500 -14.9100
24 O1c O 31.2200 -13.4400
25 O1c O 31.2200 -16.3800
26 P1b P 28.2800 -14.9100
27 O2b O 26.8100 -14.9100
28 O1c O 28.2800 -13.4400
29 O1c O 28.2800 -16.3800
30 C1y C 25.5976 -15.6100
31 O2x O 24.4021 -14.9196
32 C1y C 23.1896 -15.6195
33 C1y C 23.1894 -17.0195
34 C1y C 24.3849 -17.7099
35 C1y C 25.5974 -17.0100
36 C1b C 21.9771 -14.9195
37 O1a O 24.3849 -19.1099
38 O2a O 21.9770 -17.7195
39 N1b N 26.8098 -17.7100
40 C5a C 26.8098 -19.1100
41 O5a O 25.5974 -19.8100
42 C1a C 28.0223 -19.8100
43 C1y C 20.7646 -18.4195
44 O2x O 19.5674 -17.7280
45 C1y C 18.3548 -18.4278
46 C1y C 18.3545 -19.8278
47 C1y C 19.5517 -20.5193
48 C1y C 20.7643 -19.8195
49 C1b C 17.1424 -17.7278
50 O1a O 19.5517 -21.9193
51 N1b N 21.9767 -20.5195
52 O2b O 17.1421 -20.5278
53 O1a O 17.1424 -16.3278
54 C5a C 21.9767 -21.9195
55 O5a O 20.7643 -22.6195
56 C1a C 23.1892 -22.6195
57 O1a O 21.9771 -13.5195
58 P1b P 15.7421 -20.5278
59 O1c O 15.7421 -19.1278
60 O1c O 15.7421 -21.9278
61 O2b O 14.3421 -20.5278
62 C1b C 13.1376 -21.2100
63 C1c C 11.9251 -20.5100
64 C1b C 10.7127 -21.2100
65 O2b O 9.5703 -20.4400
66 O1a O 11.9251 -19.1102
67 P1b P 8.0745 -20.4556
68 O1c O 8.0490 -18.9482
69 O1c O 8.0744 -21.7431
70 O2b O 6.6064 -20.4194
71 C1b C 5.3676 -21.1400
72 C1c C 4.1551 -20.4400
73 C1b C 2.9427 -21.1400
74 O1a O 1.7303 -20.4400
75 O1a O 4.1551 -19.0402
76 C1b C 36.8900 -12.4600
77 C2c C 35.6300 -11.7600
78 C1a C 35.6300 -10.3600
79 C1b C 34.4400 -13.8600
80 C2b C 34.4400 -12.4600
81 C1b C 36.8900 -12.4600
82 C2c C 35.6300 -11.7600
83 C1a C 35.6300 -10.3600
84 C1b C 34.4400 -13.8600
85 C2b C 34.4400 -12.4600
86 C1b C 36.8900 -12.4600
87 C2c C 35.6300 -11.7600
88 C1a C 35.6300 -10.3600
89 C1b C 34.4400 -13.8600
90 C2b C 34.4400 -12.4600
91 C1b C 36.8900 -12.4600
92 C2c C 35.6300 -11.7600
93 C1a C 35.6300 -10.3600
94 C1b C 34.4400 -13.8600
95 C2b C 34.4400 -12.4600
96 C1b C 36.8900 -12.4600
97 C2c C 35.6300 -11.7600
98 C1a C 35.6300 -10.3600
99 C1b C 34.4400 -13.8600
100 C2b C 34.4400 -12.4600
101 C1b C 36.8900 -12.4600
102 C2c C 35.6300 -11.7600
103 C1a C 35.6300 -10.3600
104 C1b C 34.4400 -13.8600
105 C2b C 34.4400 -12.4600
106 C1b C 36.8900 -12.4600
107 C2c C 35.6300 -11.7600
108 C1a C 35.6300 -10.3600
109 C1b C 34.4400 -13.8600
110 C2b C 34.4400 -12.4600
BOND 111
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 65 67 1
63 67 68 2
64 67 69 1
65 67 70 1
66 70 71 1
67 71 72 1
68 72 73 1
69 73 74 1
70 72 75 1 #Up
71 1 2 1
72 3 4 1
73 3 2 1
74 5 6 1
75 6 3 2
76 5 76 1
77 77 78 1
78 77 76 1
79 79 80 1
80 80 77 2
81 79 81 1
82 82 83 1
83 82 81 1
84 84 85 1
85 85 82 2
86 84 86 1
87 87 88 1
88 87 86 1
89 89 90 1
90 90 87 2
91 89 91 1
92 92 93 1
93 92 91 1
94 94 95 1
95 95 92 2
96 94 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 7 1
BRACKET 1 34.1600 -14.9800 34.1600 -9.7300
1 37.1000 -9.7300 37.1000 -14.9800
1 8
ORIGINAL 1 2 3 4 5 6
REPEAT 1 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91
1 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107
1 108 109 110
2 2.8700 -22.6800 2.8700 -18.3400
2 9.9400 -18.3400 9.9400 -22.6800
2 n
ORIGINAL 2 65 67 68 69 70 71 72 73 75
REPEAT 2
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