COMPOUND: C20763
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Entry
C20763 Compound
Name
3-O-Methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
Formula
C94H158NO40P3(C24H40O20)n
Structure
Mol file
KCF file
DB search
Reaction
R10658
Enzyme
2.1.1.294
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20763 3-O-Methylphospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol
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Other DBs
PubChem:
254741231
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KCF data
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ATOM 182
1 P1b P 9.9400 -44.4500
2 O1c O 9.9400 -43.0500
3 O2b O 8.5400 -44.4500
4 O1c O 9.9400 -45.8500
5 C1y C 15.1200 -43.7500
6 O2x O 15.1200 -42.3500
7 C1y C 13.9300 -41.6500
8 C1y C 12.7400 -42.3500
9 C1y C 12.7400 -43.7500
10 C1y C 13.9300 -44.4500
11 O1a O 13.9300 -45.8500
12 O2b O 11.5500 -44.4500
13 C1b C 13.9300 -40.2500
14 O1a O 11.5500 -41.6500
15 O1a O 12.7400 -39.5500
16 C1y C 16.3100 -47.4600
17 C1y C 16.3100 -48.8600
18 C1y C 17.5224 -49.5600
19 O2x O 18.7349 -48.8600
20 C1y C 18.7349 -47.4600
21 C1y C 17.5224 -46.7600
22 C1b C 17.5224 -50.9598
23 O1a O 15.0976 -46.7600
24 O2a O 17.5224 -45.3602
25 O1a O 15.0976 -49.5600
26 O1a O 16.2932 -51.6697
27 C1y C 25.6200 -45.2900
28 C1y C 25.6200 -46.6900
29 C1y C 26.8324 -47.3900
30 C1y C 28.0449 -46.6900
31 C1y C 28.0449 -45.2900
32 O2x O 26.8324 -44.5900
33 O2a O 20.7676 -47.4600
34 O1a O 26.8324 -48.7898
35 O1a O 29.2760 -47.4010
36 C1b C 29.2760 -44.5790
37 O1a O 30.4812 -45.2747
38 C1y C 26.6700 -40.1100
39 O2x O 25.4800 -39.4100
40 C1y C 24.2200 -40.1100
41 C1y C 24.2200 -41.5100
42 C1y C 25.4100 -42.2100
43 C1y C 26.6700 -41.5100
44 C1b C 23.0300 -39.4100
45 O1a O 27.8600 -42.2100
46 O1a O 23.1700 -42.2100
47 O1a O 23.0300 -38.0100
48 C1y C 27.9878 -36.4953
49 C1y C 27.9878 -37.8997
50 C1y C 29.1816 -38.6020
51 C1y C 30.4456 -37.8997
52 C1y C 30.4456 -36.4953
53 O2x O 29.1816 -35.7931
54 O1a O 31.6393 -38.6020
55 O2a O 29.1816 -39.9364
56 O1a O 26.7941 -38.6020
57 C1b C 26.7941 -35.7931
58 O1a O 25.6003 -36.4953
59 C1y C 29.3300 -31.5000
60 C1y C 29.3300 -32.9000
61 C1y C 30.5424 -33.6000
62 C1y C 31.7549 -32.9000
63 C1y C 31.7549 -31.5000
64 O2x O 30.5424 -30.8000
65 O2a O 32.4260 -34.2410
66 O1a O 30.5424 -34.7198
67 O1a O 28.1176 -33.6000
68 C1b C 28.1176 -30.8000
69 O1a O 26.9221 -31.4904
70 C1y C 38.0637 -20.2405
71 O2x O 36.8591 -19.5449
72 C1y C 35.6466 -20.2448
73 C1y C 35.6465 -21.6448
74 C1y C 36.8511 -22.3404
75 C1y C 38.0636 -21.6405
76 O1a O 39.2836 -22.3451
77 O1a O 34.4282 -22.3481
78 C1b C 34.4153 -19.5339
79 O1a O 33.2231 -20.2223
80 O2a O 36.8507 -23.7297
81 C1y C 35.4751 -24.8629
82 O2x O 34.2685 -24.1660
83 C1y C 33.0559 -24.8658
84 C1y C 33.0557 -26.2658
85 C1y C 34.2624 -26.9628
86 C1y C 35.4749 -26.2629
87 C1b C 31.8247 -24.1549
88 O1a O 36.6928 -26.9664
89 O2a O 34.2619 -28.3496
90 O1a O 31.8384 -26.9685
91 O1a O 30.6334 -24.8428
92 C1y C 35.4502 -29.0364
93 C1y C 35.4498 -30.4497
94 C1y C 36.6620 -31.1500
95 C1y C 37.8746 -30.4504
96 C1y C 37.8750 -29.0371
97 O2x O 36.6628 -28.3368
98 O2a O 33.0949 -31.3025
99 O1a O 36.6616 -32.5499
100 C1b C 39.0783 -28.3429
101 O1a O 39.0832 -31.1487
102 O1a O 39.0783 -26.9429
103 O2b O 47.5300 -14.9100
104 P1b P 46.0600 -14.9100
105 O2c O 44.5900 -14.9100
106 O1c O 46.0600 -13.4400
107 O1c O 46.0600 -16.3800
108 P1b P 43.1200 -14.9100
109 O2b O 41.6500 -14.9100
110 O1c O 43.1200 -13.4400
111 O1c O 43.1200 -16.3800
112 C1y C 40.4600 -15.6100
113 O2x O 39.2700 -14.9100
114 C1y C 38.0100 -15.6100
115 C1y C 38.0100 -17.0100
116 C1y C 39.2000 -17.7100
117 C1y C 40.4600 -17.0100
118 C1b C 36.8200 -14.9100
119 O2a O 39.2000 -19.1800
120 O1a O 36.8200 -17.7100
121 N1b N 41.6500 -17.7100
122 O1a O 35.6300 -15.6100
123 C5a C 41.6500 -19.1100
124 O5a O 40.4600 -19.8100
125 C1a C 42.8400 -19.8100
126 C1b C 51.7300 -12.4600
127 C2c C 50.4700 -11.7600
128 C1a C 50.4700 -10.3600
129 C1b C 49.2800 -13.8600
130 C2b C 49.2800 -12.4600
131 C1b C 52.7800 -11.7600
132 C1a C 66.5000 -12.4600
133 C2c C 65.2400 -11.7600
134 C2b C 63.9800 -12.4600
135 C1a C 65.2400 -10.3600
136 C1b C 62.7200 -11.7600
137 C1b C 61.5300 -12.4600
138 C2c C 60.2700 -11.7600
139 C2b C 59.0100 -12.4600
140 C1a C 60.2700 -10.3600
141 C1b C 57.7500 -11.7600
142 C1b C 56.5600 -12.4600
143 C2c C 55.3000 -11.7600
144 C2b C 54.0400 -12.4600
145 C1a C 55.3000 -10.3600
146 O2a O 25.3928 -43.6099
147 C1a C 7.8400 -43.2376
148 C1b C 51.7300 -12.4600
149 C2c C 50.4700 -11.7600
150 C1a C 50.4700 -10.3600
151 C1b C 49.2800 -13.8600
152 C2b C 49.2800 -12.4600
153 C1b C 51.7300 -12.4600
154 C2c C 50.4700 -11.7600
155 C1a C 50.4700 -10.3600
156 C1b C 49.2800 -13.8600
157 C2b C 49.2800 -12.4600
158 C1b C 51.7300 -12.4600
159 C2c C 50.4700 -11.7600
160 C1a C 50.4700 -10.3600
161 C1b C 49.2800 -13.8600
162 C2b C 49.2800 -12.4600
163 C1b C 51.7300 -12.4600
164 C2c C 50.4700 -11.7600
165 C1a C 50.4700 -10.3600
166 C1b C 49.2800 -13.8600
167 C2b C 49.2800 -12.4600
168 C1b C 51.7300 -12.4600
169 C2c C 50.4700 -11.7600
170 C1a C 50.4700 -10.3600
171 C1b C 49.2800 -13.8600
172 C2b C 49.2800 -12.4600
173 C1b C 51.7300 -12.4600
174 C2c C 50.4700 -11.7600
175 C1a C 50.4700 -10.3600
176 C1b C 49.2800 -13.8600
177 C2b C 49.2800 -12.4600
178 C1b C 51.7300 -12.4600
179 C2c C 50.4700 -11.7600
180 C1a C 50.4700 -10.3600
181 C1b C 49.2800 -13.8600
182 C2b C 49.2800 -12.4600
BOND 191
1 1 2 1
2 1 3 1
3 1 4 2
4 5 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 5 10 1
10 10 11 1 #Up
11 9 12 1 #Up
12 7 13 1 #Up
13 8 14 1 #Down
14 13 15 1
15 16 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 16 21 1
21 18 22 1 #Down
22 16 23 1 #Down
23 21 24 1 #Down
24 17 25 1 #Up
25 22 26 1
26 27 28 1
27 28 29 1
28 29 30 1
29 30 31 1
30 31 32 1
31 27 32 1
32 28 33 1 #Down
33 29 34 1 #Down
34 30 35 1 #Up
35 31 36 1 #Down
36 36 37 1
37 38 39 1
38 39 40 1
39 40 41 1
40 41 42 1
41 42 43 1
42 38 43 1
43 40 44 1 #Up
44 43 45 1 #Up
45 41 46 1 #Down
46 44 47 1
47 48 49 1
48 49 50 1
49 50 51 1
50 51 52 1
51 52 53 1
52 48 53 1
53 51 54 1 #Up
54 50 55 1 #Up
55 49 56 1 #Down
56 48 57 1 #Up
57 57 58 1
58 59 60 1
59 60 61 1
60 61 62 1
61 62 63 1
62 63 64 1
63 59 64 1
64 62 65 1 #Up
65 61 66 1 #Up
66 60 67 1 #Down
67 59 68 1 #Up
68 68 69 1
69 70 71 1
70 71 72 1
71 72 73 1
72 73 74 1
73 74 75 1
74 70 75 1
75 75 76 1 #Up
76 73 77 1 #Down
77 72 78 1 #Up
78 78 79 1
79 74 80 1 #Up
80 81 80 1 #Down
81 81 82 1
82 82 83 1
83 83 84 1
84 84 85 1
85 85 86 1
86 81 86 1
87 83 87 1 #Up
88 86 88 1 #Up
89 85 89 1 #Up
90 84 90 1 #Down
91 87 91 1
92 92 89 1 #Up
93 92 93 1
94 93 94 1
95 94 95 1
96 95 96 1
97 96 97 1
98 92 97 1
99 93 98 1 #Down
100 94 99 1 #Down
101 96 100 1 #Down
102 95 101 1 #Up
103 100 102 1
104 103 104 1
105 104 105 1
106 104 106 1
107 104 107 2
108 105 108 1
109 108 109 1
110 108 110 1
111 108 111 2
112 112 109 1 #Down
113 112 113 1
114 113 114 1
115 114 115 1
116 115 116 1
117 116 117 1
118 112 117 1
119 114 118 1 #Up
120 116 119 1 #Up
121 115 120 1 #Down
122 117 121 1 #Down
123 118 122 1
124 121 123 1
125 123 124 2
126 123 125 1
127 136 137 1
128 137 138 1
129 138 139 2
130 138 140 1
131 139 141 1
132 134 136 1
133 132 133 1
134 133 134 2
135 141 142 1
136 142 143 1
137 143 144 2
138 143 145 1
139 144 131 1
140 133 135 1
141 70 119 1 #Down
142 63 98 1 #Down
143 52 65 1 #Down
144 38 55 1 #Down
145 42 146 1 #Up
146 27 146 1 #Up
147 20 33 1 #Up
148 5 24 1 #Down
149 1 12 1
150 3 147 1
151 127 128 1
152 127 126 1
153 129 130 1
154 130 127 2
155 103 129 1
156 149 150 1
157 149 148 1
158 151 152 1
159 152 149 2
160 126 151 1
161 154 155 1
162 154 153 1
163 156 157 1
164 157 154 2
165 148 156 1
166 159 160 1
167 159 158 1
168 161 162 1
169 162 159 2
170 153 161 1
171 164 165 1
172 164 163 1
173 166 167 1
174 167 164 2
175 158 166 1
176 169 170 1
177 169 168 1
178 171 172 1
179 172 169 2
180 163 171 1
181 174 175 1
182 174 173 1
183 176 177 1
184 177 174 2
185 168 176 1
186 179 180 1
187 179 178 1
188 181 182 1
189 182 179 2
190 173 181 1
191 178 131 1
BRACKET 1 49.0000 -15.1900 49.0000 -9.9400
1 51.9400 -9.9400 51.9400 -15.1900
1 8
ORIGINAL 1 126 127 128 129 130
REPEAT 1 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163
1 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179
1 180 181 182
2 21.8400 -50.1900 21.8400 -30.1700
2 33.8100 -29.8900 33.8100 -50.1900
2 n
ORIGINAL 2 27 28 29 30 31 32 34 35 36 37 38 39 40 41 42 43
2 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59
2 60 61 62 63 64 65 66 67 68 69 98 146
REPEAT 2
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