COMPOUND: C20762
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Entry
C20762 Compound
Name
3-O-Phospho-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
C93H156NO40P3(C24H40O20)n
Structure
Mol file
KCF file
DB search
Reaction
R10657
R10658
Enzyme
2.1.1.294
2.7.1.181
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C20762 3-O-Phospho-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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PubChem:
254741230
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KCF data
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ATOM 181
1 P1b P 8.8200 -48.7200
2 O1c O 8.8200 -47.3200
3 O1c O 7.4200 -48.7200
4 O1c O 8.8200 -50.1200
5 C1y C 14.0000 -48.0200
6 O2x O 14.0000 -46.6200
7 C1y C 12.8100 -45.9200
8 C1y C 11.6200 -46.6200
9 C1y C 11.6200 -48.0200
10 C1y C 12.8100 -48.7200
11 O1a O 12.8100 -50.1200
12 O2b O 10.4300 -48.7200
13 C1b C 12.8100 -44.5200
14 O1a O 10.4300 -45.9200
15 O1a O 11.6200 -43.8200
16 C1y C 15.1900 -51.7300
17 C1y C 15.1900 -53.1300
18 C1y C 16.4024 -53.8300
19 O2x O 17.6149 -53.1300
20 C1y C 17.6149 -51.7300
21 C1y C 16.4024 -51.0300
22 C1b C 16.4024 -55.2298
23 O1a O 13.9776 -51.0300
24 O2a O 16.4024 -49.6302
25 O1a O 13.9776 -53.8300
26 O1a O 15.1732 -55.9397
27 C1y C 24.5000 -49.5600
28 C1y C 24.5000 -50.9600
29 C1y C 25.7124 -51.6600
30 C1y C 26.9249 -50.9600
31 C1y C 26.9249 -49.5600
32 O2x O 25.7124 -48.8600
33 O2a O 19.6476 -51.7300
34 O1a O 25.7124 -53.0598
35 O1a O 28.1560 -51.6710
36 C1b C 28.1560 -48.8490
37 O1a O 29.3612 -49.5447
38 C1y C 25.5500 -44.3800
39 O2x O 24.3600 -43.6800
40 C1y C 23.1000 -44.3800
41 C1y C 23.1000 -45.7800
42 C1y C 24.2900 -46.4800
43 C1y C 25.5500 -45.7800
44 C1b C 21.9100 -43.6800
45 O1a O 26.7400 -46.4800
46 O1a O 22.0500 -46.4800
47 O1a O 21.9100 -42.2800
48 C1y C 26.8678 -40.7653
49 C1y C 26.8678 -42.1697
50 C1y C 28.0616 -42.8720
51 C1y C 29.3256 -42.1697
52 C1y C 29.3256 -40.7653
53 O2x O 28.0616 -40.0631
54 O1a O 30.5193 -42.8720
55 O2a O 28.0616 -44.2064
56 O1a O 25.6741 -42.8720
57 C1b C 25.6741 -40.0631
58 O1a O 24.4803 -40.7653
59 C1y C 28.2100 -35.7700
60 C1y C 28.2100 -37.1700
61 C1y C 29.4224 -37.8700
62 C1y C 30.6349 -37.1700
63 C1y C 30.6349 -35.7700
64 O2x O 29.4224 -35.0700
65 O2a O 31.3060 -38.5110
66 O1a O 29.4224 -38.9898
67 O1a O 26.9976 -37.8700
68 C1b C 26.9976 -35.0700
69 O1a O 25.8021 -35.7604
70 C1y C 36.9437 -24.5105
71 O2x O 35.7391 -23.8149
72 C1y C 34.5266 -24.5148
73 C1y C 34.5265 -25.9148
74 C1y C 35.7311 -26.6104
75 C1y C 36.9436 -25.9105
76 O1a O 38.1636 -26.6151
77 O1a O 33.3082 -26.6181
78 C1b C 33.2953 -23.8039
79 O1a O 32.1031 -24.4923
80 O2a O 35.7307 -27.9997
81 C1y C 34.3551 -29.1329
82 O2x O 33.1485 -28.4360
83 C1y C 31.9359 -29.1358
84 C1y C 31.9357 -30.5358
85 C1y C 33.1424 -31.2328
86 C1y C 34.3549 -30.5329
87 C1b C 30.7047 -28.4249
88 O1a O 35.5728 -31.2364
89 O2a O 33.1419 -32.6196
90 O1a O 30.7184 -31.2385
91 O1a O 29.5134 -29.1128
92 C1y C 34.3302 -33.3064
93 C1y C 34.3298 -34.7197
94 C1y C 35.5420 -35.4200
95 C1y C 36.7546 -34.7204
96 C1y C 36.7550 -33.3071
97 O2x O 35.5428 -32.6068
98 O2a O 31.9749 -35.5725
99 O1a O 35.5416 -36.8199
100 C1b C 37.9583 -32.6129
101 O1a O 37.9632 -35.4187
102 O1a O 37.9583 -31.2129
103 O2b O 46.4100 -19.1800
104 P1b P 44.9400 -19.1800
105 O2c O 43.4700 -19.1800
106 O1c O 44.9400 -17.7100
107 O1c O 44.9400 -20.6500
108 P1b P 42.0000 -19.1800
109 O2b O 40.5300 -19.1800
110 O1c O 42.0000 -17.7100
111 O1c O 42.0000 -20.6500
112 C1y C 39.3400 -19.8800
113 O2x O 38.1500 -19.1800
114 C1y C 36.8900 -19.8800
115 C1y C 36.8900 -21.2800
116 C1y C 38.0800 -21.9800
117 C1y C 39.3400 -21.2800
118 C1b C 35.7000 -19.1800
119 O2a O 38.0800 -23.4500
120 O1a O 35.7000 -21.9800
121 N1b N 40.5300 -21.9800
122 O1a O 34.5100 -19.8800
123 C5a C 40.5300 -23.3800
124 O5a O 39.3400 -24.0800
125 C1a C 41.7200 -24.0800
126 C1b C 50.6100 -16.7300
127 C2c C 49.3500 -16.0300
128 C1a C 49.3500 -14.6300
129 C1b C 48.1600 -18.1300
130 C2b C 48.1600 -16.7300
131 C1b C 51.6600 -16.0300
132 C1a C 65.3800 -16.7300
133 C2c C 64.1200 -16.0300
134 C2b C 62.8600 -16.7300
135 C1a C 64.1200 -14.6300
136 C1b C 61.6000 -16.0300
137 C1b C 60.4100 -16.7300
138 C2c C 59.1500 -16.0300
139 C2b C 57.8900 -16.7300
140 C1a C 59.1500 -14.6300
141 C1b C 56.6300 -16.0300
142 C1b C 55.4400 -16.7300
143 C2c C 54.1800 -16.0300
144 C2b C 52.9200 -16.7300
145 C1a C 54.1800 -14.6300
146 O2a O 24.2728 -47.8799
147 C1b C 50.6100 -16.7300
148 C2c C 49.3500 -16.0300
149 C1a C 49.3500 -14.6300
150 C1b C 48.1600 -18.1300
151 C2b C 48.1600 -16.7300
152 C1b C 50.6100 -16.7300
153 C2c C 49.3500 -16.0300
154 C1a C 49.3500 -14.6300
155 C1b C 48.1600 -18.1300
156 C2b C 48.1600 -16.7300
157 C1b C 50.6100 -16.7300
158 C2c C 49.3500 -16.0300
159 C1a C 49.3500 -14.6300
160 C1b C 48.1600 -18.1300
161 C2b C 48.1600 -16.7300
162 C1b C 50.6100 -16.7300
163 C2c C 49.3500 -16.0300
164 C1a C 49.3500 -14.6300
165 C1b C 48.1600 -18.1300
166 C2b C 48.1600 -16.7300
167 C1b C 50.6100 -16.7300
168 C2c C 49.3500 -16.0300
169 C1a C 49.3500 -14.6300
170 C1b C 48.1600 -18.1300
171 C2b C 48.1600 -16.7300
172 C1b C 50.6100 -16.7300
173 C2c C 49.3500 -16.0300
174 C1a C 49.3500 -14.6300
175 C1b C 48.1600 -18.1300
176 C2b C 48.1600 -16.7300
177 C1b C 50.6100 -16.7300
178 C2c C 49.3500 -16.0300
179 C1a C 49.3500 -14.6300
180 C1b C 48.1600 -18.1300
181 C2b C 48.1600 -16.7300
BOND 190
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
150 127 128 1
151 127 126 1
152 129 130 1
153 130 127 2
154 103 129 1
155 148 149 1
156 148 147 1
157 150 151 1
158 151 148 2
159 126 150 1
160 153 154 1
161 153 152 1
162 155 156 1
163 156 153 2
164 147 155 1
165 158 159 1
166 158 157 1
167 160 161 1
168 161 158 2
169 152 160 1
170 163 164 1
171 163 162 1
172 165 166 1
173 166 163 2
174 157 165 1
175 168 169 1
176 168 167 1
177 170 171 1
178 171 168 2
179 162 170 1
180 173 174 1
181 173 172 1
182 175 176 1
183 176 173 2
184 167 175 1
185 178 179 1
186 178 177 1
187 180 181 1
188 181 178 2
189 172 180 1
190 177 131 1
BRACKET 1 47.8800 -19.4600 47.8800 -14.2800
1 50.8200 -14.2800 50.8200 -19.4600
1 8
ORIGINAL 1 126 127 128 129 130
REPEAT 1 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162
1 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178
1 179 180 181
2 20.7900 -54.4600 20.7900 -34.4400
2 32.7600 -34.1600 32.7600 -54.4600
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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