Entry |
|
Name |
1-Dephospho-KDO2-lipid A;
1-Dephosphorylated KDO2-lipid A
|
Formula |
C128H237N2O36P
|
Exact mass |
2409.6514
|
Mol weight |
2411.21
|
Structure |

|
Reaction |
|
Pathway |
map00540 | Lipopolysaccharide biosynthesis |
|
Module |
M00867 | KDO2-lipid A modification pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL02 Acylaminosugar glycans
C21994 1-Dephospho-KDO2-lipid A
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 167
1 C1y C 13.8808 -13.5243
2 C1y C 12.6897 -12.8237
3 C1y C 15.1420 -12.8237
4 O7a O 13.8808 -14.9257
5 C1y C 12.6897 -11.4224
6 O2b O 11.4986 -13.5243
7 C1y C 15.1420 -11.4224
8 N1b N 16.3331 -13.5243
9 C7a C 12.6897 -15.6263
10 O2x O 13.8808 -10.7217
11 C1b C 11.4285 -10.7217
12 P1b P 10.0972 -13.5243
13 O2a O 16.3331 -10.7217
14 C5a C 16.3331 -14.9257
15 C1b C 12.6897 -17.0277
16 O6a O 11.4986 -14.9257
17 O2a O 11.4285 -9.3204
18 O1c O 10.0972 -12.1231
19 O1c O 8.6959 -13.5243
20 O1c O 10.0972 -14.9257
21 C1b C 17.5242 -10.0912
22 O5a O 15.1420 -15.6263
23 C1c C 11.4986 -17.7283
24 C1z C 11.4986 -7.9190
25 C1y C 18.7854 -10.7217
26 C1b C 11.4986 -19.1296
27 O7a O 10.3075 -17.0277
28 C1x C 10.2373 -8.6198
29 O2x O 11.4986 -6.5178
30 C6a C 12.7597 -8.4796
31 C1y C 18.7854 -12.1231
32 O2x O 19.9765 -10.0912
33 C1b C 10.3075 -19.8303
34 C1y C 9.0462 -7.9190
35 C1y C 10.2373 -5.8171
36 O6a O 12.8298 -9.6708
37 O6a O 13.8808 -7.7090
38 C1y C 19.9765 -12.8237
39 O1a O 17.5242 -12.4734
40 C1y C 21.1676 -10.7217
41 C1b C 10.3075 -21.2316
42 O2a O 7.9252 -8.6899
43 C1y C 9.0462 -6.5178
44 C1c C 10.1673 -4.4158
45 C1y C 21.1676 -12.1231
46 O7a O 19.9765 -14.2251
47 O1a O 22.4288 -10.0912
48 C1b C 9.0462 -21.9322
49 C1z C 6.8042 -9.3905
50 O1a O 7.7851 -5.8873
51 C1b C 11.2884 -3.6451
52 O1a O 8.9061 -3.7853
53 N1b N 23.1996 -12.8237
54 C7a C 21.1676 -14.9257
55 C1b C 9.0462 -23.3336
56 O2x O 5.5430 -8.7599
57 C1x C 6.8042 -10.7918
58 C6a C 7.9952 -10.0912
59 O1a O 11.2884 -2.3138
60 C5a C 24.4608 -12.1231
61 O6a O 22.4288 -14.2251
62 C1b C 7.8550 -24.0342
63 C1y C 4.3518 -9.4606
64 C1y C 5.6130 -11.4925
65 O6a O 9.1864 -9.3905
66 O6a O 7.9952 -11.4925
67 O5a O 24.5307 -10.7217
68 C1b C 7.8550 -25.4355
69 C1y C 4.3518 -10.8618
70 C1c C 3.1608 -8.8300
71 O1a O 5.6130 -12.8938
72 C1b C 6.6640 -26.1362
73 O1a O 3.2308 -11.5625
74 C1b C 3.1608 -7.4287
75 O1a O 1.9696 -9.5307
76 C1b C 6.6640 -27.5375
77 O1a O 1.8996 -6.7981
78 C1b C 5.4028 -28.2381
79 C1b C 5.4028 -29.6395
80 C1b C 25.6518 -12.8237
81 C1c C 25.6518 -14.2251
82 C1b C 26.9130 -14.9257
83 C1b C 26.9130 -16.3270
84 C1b C 28.1042 -17.0277
85 C1b C 28.1042 -18.4290
86 C1b C 29.2952 -19.1296
87 C1b C 29.2952 -20.5310
88 C1b C 30.5564 -21.2316
89 C1b C 30.5564 -22.6329
90 C1b C 31.7476 -23.3336
91 C1b C 31.7476 -24.7349
92 C1b C 32.9386 -25.4355
93 C1b C 32.9386 -26.8369
94 C1b C 34.1999 -27.5375
95 C1b C 34.1999 -28.9389
96 C1a C 35.3910 -29.6395
97 O1a O 24.4608 -14.9257
98 C1b C 21.1676 -16.3270
99 C1c C 22.3588 -17.0277
100 C1b C 22.3588 -18.4290
101 C1b C 23.6199 -19.1296
102 C1b C 23.6199 -20.5310
103 C1b C 24.8110 -21.2316
104 C1b C 24.8110 -22.6329
105 C1b C 26.0022 -23.3336
106 C1b C 26.0022 -24.7349
107 C1b C 27.2633 -25.4355
108 C1b C 27.2633 -26.8369
109 C1b C 28.4544 -27.5375
110 C1b C 28.4544 -28.9389
111 C1b C 29.6456 -29.6395
112 C1a C 29.6456 -31.0408
113 O1a O 23.6199 -16.3270
114 C1b C 17.5242 -15.6263
115 C1b C 4.2116 -30.3401
116 C1a C 4.2116 -31.7415
117 C7a C 9.1163 -17.7283
118 C1b C 9.1163 -19.1296
119 C1b C 7.8550 -19.8303
120 C1b C 7.8550 -21.2316
121 C1b C 6.6640 -21.9322
122 C1b C 6.6640 -23.3336
123 C1b C 5.4729 -24.0342
124 C1b C 5.4729 -25.4355
125 C1b C 4.2818 -26.1362
126 C1b C 4.2818 -27.5375
127 C1b C 3.0206 -28.2381
128 C1b C 3.0206 -29.6395
129 C1b C 1.8294 -30.3401
130 C1a C 1.8294 -31.7415
131 C1c C 17.5242 -17.0277
132 C1b C 16.3331 -17.7283
133 C1b C 16.3331 -19.1296
134 C1b C 15.1420 -19.8303
135 C1b C 15.1420 -21.2316
136 C1b C 13.8808 -21.9322
137 C1b C 13.8808 -23.3336
138 C1b C 12.6897 -24.0342
139 C1b C 12.6897 -25.4355
140 C1b C 11.4986 -26.1362
141 C1b C 11.4986 -27.5375
142 C1b C 10.2373 -28.2381
143 C1b C 10.2373 -29.6395
144 C1b C 9.0462 -30.3401
145 C1b C 9.0462 -31.7415
146 C1a C 7.8550 -32.4421
147 O7a O 18.7154 -17.7283
148 C7a C 18.7154 -19.1296
149 C1b C 17.5242 -19.8303
150 C1b C 17.5242 -21.2316
151 C1b C 16.3331 -21.9322
152 C1b C 16.3331 -23.3336
153 C1b C 15.0720 -24.0342
154 C1b C 15.0720 -25.4355
155 C1b C 13.8808 -26.1362
156 C1b C 13.8808 -27.5375
157 C1b C 12.6897 -28.2381
158 C1b C 12.6897 -29.6395
159 C1b C 11.4285 -30.3401
160 C1b C 11.4285 -31.7415
161 C1b C 10.2373 -32.4421
162 C1b C 10.2373 -33.8434
163 C1b C 9.0462 -34.5441
164 C1b C 9.0462 -35.9454
165 C1a C 7.7851 -36.6460
166 O6a O 19.9064 -19.8303
167 O6a O 7.8793 -17.0211
BOND 170
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 2
16 11 17 1
17 12 18 1
18 12 19 1
19 12 20 2
20 13 21 1
21 14 22 2
22 15 23 1
23 17 24 1
24 25 21 1 #Up
25 23 26 1
26 23 27 1 #Up
27 24 28 1
28 24 29 1
29 24 30 1 #Up
30 25 31 1
31 25 32 1
32 26 33 1
33 28 34 1
34 29 35 1
35 30 36 1
36 30 37 2
37 31 38 1
38 31 39 1 #Down
39 32 40 1
40 33 41 1
41 34 42 1 #Up
42 34 43 1
43 35 44 1 #Up
44 38 45 1
45 38 46 1 #Up
46 40 47 1 #Down
47 41 48 1
48 49 42 1 #Down
49 43 50 1 #Up
50 44 51 1
51 44 52 1 #Down
52 45 53 1 #Down
53 46 54 1
54 48 55 1
55 49 56 1
56 49 57 1
57 49 58 1 #Up
58 51 59 1
59 53 60 1
60 54 61 2
61 55 62 1
62 56 63 1
63 57 64 1
64 58 65 1
65 58 66 2
66 60 67 2
67 62 68 1
68 63 69 1
69 63 70 1 #Up
70 64 71 1 #Up
71 68 72 1
72 69 73 1 #Up
73 70 74 1
74 70 75 1 #Down
75 72 76 1
76 74 77 1
77 76 78 1
78 78 79 1
79 7 10 1
80 35 43 1
81 40 45 1
82 64 69 1
83 60 80 1
84 80 81 1
85 81 82 1
86 82 83 1
87 83 84 1
88 84 85 1
89 85 86 1
90 86 87 1
91 87 88 1
92 88 89 1
93 89 90 1
94 90 91 1
95 91 92 1
96 92 93 1
97 93 94 1
98 94 95 1
99 95 96 1
100 81 97 1 #Up
101 54 98 1
102 98 99 1
103 99 100 1
104 100 101 1
105 101 102 1
106 102 103 1
107 103 104 1
108 104 105 1
109 105 106 1
110 106 107 1
111 107 108 1
112 108 109 1
113 109 110 1
114 110 111 1
115 111 112 1
116 99 113 1 #Down
117 14 114 1
118 79 115 1
119 115 116 1
120 27 117 1
121 117 118 1
122 118 119 1
123 119 120 1
124 120 121 1
125 121 122 1
126 122 123 1
127 123 124 1
128 124 125 1
129 125 126 1
130 126 127 1
131 127 128 1
132 128 129 1
133 129 130 1
134 114 131 1
135 131 132 1
136 132 133 1
137 133 134 1
138 134 135 1
139 135 136 1
140 136 137 1
141 137 138 1
142 138 139 1
143 139 140 1
144 140 141 1
145 141 142 1
146 142 143 1
147 143 144 1
148 144 145 1
149 145 146 1
150 131 147 1 #Down
151 147 148 1
152 148 149 1
153 149 150 1
154 150 151 1
155 151 152 1
156 152 153 1
157 153 154 1
158 154 155 1
159 155 156 1
160 156 157 1
161 157 158 1
162 158 159 1
163 159 160 1
164 160 161 1
165 161 162 1
166 162 163 1
167 163 164 1
168 164 165 1
169 148 166 2
170 117 167 2
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