COMPOUND: C22412
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Entry
C22412 Compound
Name
4-O-{Poly[(2R)-2-alpha-D-glucosyl-1-glycerophospho]-(2R)-glycerophospho}-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol;
[(2-Glc)-Gro-P]n-Gro-P-ManNAc-GlcNAc-PP-undecaprenol
Formula
C74H125N2O22P3(C9H17O10P)n
Structure
Mol file
KCF file
DB search
Remark
Same as:
G13167
Reaction
R12807
Pathway
map00552
Teichoic acid biosynthesis
Enzyme
2.4.1.52
Other DBs
PubChem:
497619772
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All DBs
KCF data
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ATOM 121
1 C1y C 20.7900 -33.9500
2 C1y C 20.7900 -35.3500
3 C1y C 22.0024 -36.0500
4 O2x O 23.2149 -35.3500
5 C1y C 23.2149 -33.9500
6 C1y C 22.0024 -33.2500
7 C1b C 55.7200 -30.0300
8 C1b C 54.6700 -30.7300
9 C2c C 53.4100 -30.0300
10 C1a C 53.4100 -28.6300
11 C1b C 52.2200 -32.1300
12 C2b C 52.2200 -30.7300
13 O2b O 50.4700 -33.1800
14 C1a C 69.4400 -30.7300
15 C2c C 68.1800 -30.0300
16 C2b C 66.9200 -30.7300
17 C1a C 68.1800 -28.6300
18 C1b C 65.6600 -30.0300
19 C1b C 64.4700 -30.7300
20 C2c C 63.2100 -30.0300
21 C2b C 61.9500 -30.7300
22 C1a C 63.2100 -28.6300
23 C1b C 60.6900 -30.0300
24 C1b C 59.5000 -30.7300
25 C2c C 58.2400 -30.0300
26 C2b C 56.9800 -30.7300
27 C1a C 58.2400 -28.6300
28 P1b P 49.0000 -33.1800
29 O2c O 47.5300 -33.1800
30 O1c O 49.0000 -31.7100
31 O1c O 49.0000 -34.6500
32 P1b P 46.0600 -33.1800
33 O2b O 44.5900 -33.1800
34 O1c O 46.0600 -31.7100
35 O1c O 46.0600 -34.6500
36 C1y C 43.3776 -33.8800
37 O2x O 42.1821 -33.1896
38 C1y C 40.9696 -33.8895
39 C1y C 40.9694 -35.2895
40 C1y C 42.1649 -35.9799
41 C1y C 43.3774 -35.2800
42 C1b C 39.7571 -33.1895
43 O1a O 42.1649 -37.3799
44 O2a O 39.7570 -35.9895
45 N1b N 44.5898 -35.9800
46 C5a C 44.5898 -37.3800
47 O5a O 43.3774 -38.0800
48 C1a C 45.8023 -38.0800
49 C1y C 38.5446 -36.6895
50 O2x O 37.3474 -35.9980
51 C1y C 36.1348 -36.6978
52 C1y C 36.1345 -38.0978
53 C1y C 37.3317 -38.7893
54 C1y C 38.5443 -38.0895
55 C1b C 34.9224 -35.9978
56 O1a O 37.3317 -40.1893
57 N1b N 39.7567 -38.7895
58 O2b O 34.9221 -38.7978
59 O1a O 34.9224 -34.5978
60 C5a C 39.7567 -40.1895
61 O5a O 38.5443 -40.8895
62 C1a C 40.9692 -40.8895
63 O1a O 39.7571 -31.7895
64 P1b P 33.5221 -38.7978
65 O1c O 33.5221 -37.3978
66 O1c O 33.5221 -40.1978
67 O2b O 32.1221 -38.7978
68 C1b C 30.9176 -39.4800
69 C1c C 29.7051 -38.7800
70 C1b C 28.4927 -39.4800
71 O2b O 27.3503 -38.7100
72 O1a O 29.7051 -37.3802
73 P1b P 25.8545 -38.7256
74 O1c O 25.8290 -37.2182
75 O1c O 25.8544 -40.0131
76 O2b O 24.3864 -38.6894
77 C1b C 23.1476 -39.4100
78 C1c C 21.9351 -38.7100
79 C1b C 20.7227 -39.4100
80 O1a O 19.5103 -38.7100
81 O2a O 21.9351 -37.3102
82 O1a O 19.5776 -36.0500
83 O1a O 19.5776 -33.2500
84 O1a O 22.0024 -31.8502
85 C1b C 24.4460 -33.2390
86 O1a O 25.6512 -33.9347
87 C1b C 54.6700 -30.7300
88 C2c C 53.4100 -30.0300
89 C1a C 53.4100 -28.6300
90 C1b C 52.2200 -32.1300
91 C2b C 52.2200 -30.7300
92 C1b C 54.6700 -30.7300
93 C2c C 53.4100 -30.0300
94 C1a C 53.4100 -28.6300
95 C1b C 52.2200 -32.1300
96 C2b C 52.2200 -30.7300
97 C1b C 54.6700 -30.7300
98 C2c C 53.4100 -30.0300
99 C1a C 53.4100 -28.6300
100 C1b C 52.2200 -32.1300
101 C2b C 52.2200 -30.7300
102 C1b C 54.6700 -30.7300
103 C2c C 53.4100 -30.0300
104 C1a C 53.4100 -28.6300
105 C1b C 52.2200 -32.1300
106 C2b C 52.2200 -30.7300
107 C1b C 54.6700 -30.7300
108 C2c C 53.4100 -30.0300
109 C1a C 53.4100 -28.6300
110 C1b C 52.2200 -32.1300
111 C2b C 52.2200 -30.7300
112 C1b C 54.6700 -30.7300
113 C2c C 53.4100 -30.0300
114 C1a C 53.4100 -28.6300
115 C1b C 52.2200 -32.1300
116 C2b C 52.2200 -30.7300
117 C1b C 54.6700 -30.7300
118 C2c C 53.4100 -30.0300
119 C1a C 53.4100 -28.6300
120 C1b C 52.2200 -32.1300
121 C2b C 52.2200 -30.7300
BOND 123
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 18 19 1
8 19 20 1
9 20 21 2
10 20 22 1
11 21 23 1
12 16 18 1
13 14 15 1
14 15 16 2
15 23 24 1
16 24 25 1
17 25 26 2
18 25 27 1
19 26 7 1
20 15 17 1
21 13 28 1
22 28 29 1
23 28 30 1
24 28 31 2
25 29 32 1
26 32 33 1
27 32 34 1
28 32 35 2
29 36 33 1 #Down
30 36 37 1
31 37 38 1
32 38 39 1
33 39 40 1
34 40 41 1
35 36 41 1
36 38 42 1 #Up
37 40 43 1 #Up
38 39 44 1 #Down
39 41 45 1 #Down
40 45 46 1
41 46 47 2
42 46 48 1
43 49 44 1 #Up
44 49 50 1
45 50 51 1
46 51 52 1
47 52 53 1
48 53 54 1
49 49 54 1
50 51 55 1 #Up
51 53 56 1 #Up
52 54 57 1 #Up
53 52 58 1 #Down
54 55 59 1
55 57 60 1
56 60 61 2
57 60 62 1
58 42 63 1
59 58 64 1
60 64 65 2
61 64 66 1
62 64 67 1
63 67 68 1
64 68 69 1
65 69 70 1
66 70 71 1
67 69 72 1 #Up
68 71 73 1
69 73 74 2
70 73 75 1
71 73 76 1
72 76 77 1
73 77 78 1
74 78 79 1
75 79 80 1
76 78 81 1 #Up
77 3 81 1 #Down
78 2 82 1 #Down
79 1 83 1 #Up
80 6 84 1 #Down
81 5 85 1 #Up
82 85 86 1
83 7 8 1
84 9 10 1
85 9 8 1
86 11 12 1
87 12 9 2
88 11 87 1
89 88 89 1
90 88 87 1
91 90 91 1
92 91 88 2
93 90 92 1
94 93 94 1
95 93 92 1
96 95 96 1
97 96 93 2
98 95 97 1
99 98 99 1
100 98 97 1
101 100 101 1
102 101 98 2
103 100 102 1
104 103 104 1
105 103 102 1
106 105 106 1
107 106 103 2
108 105 107 1
109 108 109 1
110 108 107 1
111 110 111 1
112 111 108 2
113 110 112 1
114 113 114 1
115 113 112 1
116 115 116 1
117 116 113 2
118 115 117 1
119 118 119 1
120 118 117 1
121 120 121 1
122 121 118 2
123 120 13 1
BRACKET 1 51.9400 -33.2500 51.9400 -28.0000
1 54.8800 -28.0000 54.8800 -33.2500
1 8
ORIGINAL 1 8 9 10 11 12
REPEAT 1 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102
1 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118
1 119 120 121
2 20.6500 -40.9500 20.6500 -36.6100
2 27.7200 -36.6100 27.7200 -40.9500
2 n
ORIGINAL 2 1 2 3 4 5 6 71 73 74 75 76 77 78 79 81 82
2 83 84 85 86
REPEAT 2
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