Entry |
|
Name |
1-PEtN-KDO2-lipid A;
H. pylori KDO2-lipid A 1-(2-aminoethyl phosphate)
|
Formula |
C130H243N3O39P2
|
Exact mass |
2532.6599
|
Mol weight |
2534.26
|
Structure |

|
Reaction |
|
Pathway |
map00540 | Lipopolysaccharide biosynthesis |
|
Module |
M00867 | KDO2-lipid A modification pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL02 Acylaminosugar glycans
C21995 1-PEtN-KDO2-lipid A
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 174
1 C1y C 13.9478 -13.5214
2 C1y C 12.7570 -12.8209
3 C1y C 15.2087 -12.8209
4 O7a O 13.9478 -14.9224
5 C1y C 12.7570 -11.4199
6 O2b O 11.5661 -13.5214
7 C1y C 15.2087 -11.4199
8 N1b N 16.3996 -13.5214
9 C7a C 12.7570 -15.6228
10 O2x O 13.9478 -10.7195
11 C1b C 11.4961 -10.7195
12 P1b P 10.1651 -13.5214
13 O2a O 16.3996 -10.7195
14 C5a C 16.3996 -14.9224
15 C1b C 12.7570 -17.0238
16 O6a O 11.5661 -14.9224
17 O2a O 11.4961 -9.3185
18 O1c O 10.1651 -12.1204
19 O1c O 8.7641 -13.5214
20 O1c O 10.1651 -14.9224
21 C1b C 17.5904 -10.0891
22 O5a O 15.2087 -15.6228
23 C1c C 11.5661 -17.7244
24 C1z C 11.5661 -7.9175
25 C1y C 18.8512 -10.7195
26 C1b C 11.5661 -19.1253
27 O7a O 10.3754 -17.0238
28 C1x C 10.3052 -8.6179
29 O2x O 11.5661 -6.5165
30 C6a C 12.8270 -8.4779
31 C1y C 18.8512 -12.1204
32 O2x O 20.0421 -10.0891
33 C1b C 10.3754 -19.8258
34 C1y C 9.1145 -7.9175
35 C1y C 10.3052 -5.8161
36 O6a O 12.8971 -9.6688
37 O6a O 13.9478 -7.7074
38 C1y C 20.0421 -12.8209
39 O1a O 17.5904 -12.4707
40 C1y C 21.2329 -10.7195
41 C1b C 10.3754 -21.2267
42 O2a O 7.9937 -8.6881
43 C1y C 9.1145 -6.5165
44 C1c C 10.2352 -4.4151
45 C1y C 21.2329 -12.1204
46 O7a O 20.0421 -14.2219
47 O2b O 22.4937 -10.0891
48 C1b C 9.1145 -21.9273
49 C1z C 6.8729 -9.3886
50 O1a O 7.8536 -5.8862
51 C1b C 11.3560 -3.6446
52 O1a O 8.9744 -3.7847
53 N1b N 23.2644 -12.8209
54 C7a C 21.2329 -14.9224
55 P1b P 22.4937 -8.6881
56 C1b C 9.1145 -23.3283
57 O2x O 5.6120 -8.7581
58 C1x C 6.8729 -10.7896
59 C6a C 8.0637 -10.0891
60 O1a O 11.3560 -2.3136
61 C5a C 24.5252 -12.1204
62 O6a O 22.4937 -14.2219
63 O1c O 21.0228 -8.6879
64 O1c O 22.4937 -7.2171
65 O2b O 23.8247 -8.6179
66 C1b C 7.9236 -24.0287
67 C1y C 4.4211 -9.4586
68 C1y C 5.6820 -11.4900
69 O6a O 9.2546 -9.3886
70 O6a O 8.0637 -11.4900
71 O5a O 24.5252 -10.7195
72 C1b C 7.9236 -25.4298
73 C1y C 4.4211 -10.8596
74 C1c C 3.2304 -8.8282
75 O1a O 5.6820 -12.8910
76 C1b C 6.7328 -26.1303
77 O1a O 3.3004 -11.5601
78 C1b C 3.2304 -7.4273
79 O1a O 2.0395 -9.5287
80 C1b C 6.7328 -27.5313
81 O1a O 1.9695 -6.7967
82 C1b C 5.4719 -28.2317
83 C1b C 5.4719 -29.6327
84 C1b C 25.7161 -12.8209
85 C1c C 25.7161 -14.2219
86 C1b C 26.9770 -14.9224
87 C1b C 26.9770 -16.3234
88 C1b C 28.1678 -17.0238
89 C1b C 28.1678 -18.4248
90 C1b C 29.3586 -19.1253
91 C1b C 29.3586 -20.5263
92 C1b C 30.6195 -21.2267
93 C1b C 30.6195 -22.6277
94 C1b C 31.8103 -23.3283
95 C1b C 31.8103 -24.7293
96 C1b C 33.0011 -25.4298
97 C1b C 33.0011 -26.8308
98 C1b C 34.2620 -27.5313
99 C1b C 34.2620 -28.9323
100 C1a C 35.4529 -29.6327
101 O1a O 24.5252 -14.9224
102 C1b C 21.2329 -16.3234
103 C1c C 22.4237 -17.0238
104 C1b C 22.4237 -18.4248
105 C1b C 23.6846 -19.1253
106 C1b C 23.6846 -20.5263
107 C1b C 24.8755 -21.2267
108 C1b C 24.8755 -22.6277
109 C1b C 26.0663 -23.3283
110 C1b C 26.0663 -24.7293
111 C1b C 27.3272 -25.4298
112 C1b C 27.3272 -26.8308
113 C1b C 28.5180 -27.5313
114 C1b C 28.5180 -28.9323
115 C1b C 29.7089 -29.6327
116 C1a C 29.7089 -31.0337
117 O1a O 23.6846 -16.3234
118 C1b C 17.5904 -15.6228
119 C1b C 4.2810 -30.3333
120 C1a C 4.2810 -31.7342
121 C7a C 9.1845 -17.7244
122 C1b C 9.1845 -19.1253
123 C1b C 7.9236 -19.8258
124 C1b C 7.9236 -21.2267
125 C1b C 6.7328 -21.9273
126 C1b C 6.7328 -23.3283
127 C1b C 5.5419 -24.0287
128 C1b C 5.5419 -25.4298
129 C1b C 4.3511 -26.1303
130 C1b C 4.3511 -27.5313
131 C1b C 3.0902 -28.2317
132 C1b C 3.0902 -29.6327
133 C1b C 1.8994 -30.3333
134 C1a C 1.8994 -31.7342
135 C1c C 17.5904 -17.0238
136 C1b C 16.3996 -17.7244
137 C1b C 16.3996 -19.1253
138 C1b C 15.2087 -19.8258
139 C1b C 15.2087 -21.2267
140 C1b C 13.9478 -21.9273
141 C1b C 13.9478 -23.3283
142 C1b C 12.7570 -24.0287
143 C1b C 12.7570 -25.4298
144 C1b C 11.5661 -26.1303
145 C1b C 11.5661 -27.5313
146 C1b C 10.3052 -28.2317
147 C1b C 10.3052 -29.6327
148 C1b C 9.1145 -30.3333
149 C1b C 9.1145 -31.7342
150 C1a C 7.9236 -32.4347
151 O7a O 18.7812 -17.7244
152 C7a C 18.7812 -19.1253
153 C1b C 17.5904 -19.8258
154 C1b C 17.5904 -21.2267
155 C1b C 16.3996 -21.9273
156 C1b C 16.3996 -23.3283
157 C1b C 15.1387 -24.0287
158 C1b C 15.1387 -25.4298
159 C1b C 13.9478 -26.1303
160 C1b C 13.9478 -27.5313
161 C1b C 12.7570 -28.2317
162 C1b C 12.7570 -29.6327
163 C1b C 11.4961 -30.3333
164 C1b C 11.4961 -31.7342
165 C1b C 10.3052 -32.4347
166 C1b C 10.3052 -33.8356
167 C1b C 9.1145 -34.5362
168 C1b C 9.1145 -35.9371
169 C1a C 7.8536 -36.6376
170 O6a O 19.9720 -19.8258
171 C1b C 25.0125 -7.9102
172 C1b C 26.2250 -8.6101
173 N1a N 27.4373 -7.9102
174 O6a O 7.9509 -17.0189
BOND 177
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 47 55 1
55 48 56 1
56 49 57 1
57 49 58 1
58 49 59 1 #Up
59 51 60 1
60 53 61 1
61 54 62 2
62 55 63 1
63 55 64 2
64 55 65 1
65 56 66 1
66 57 67 1
67 58 68 1
68 59 69 1
69 59 70 2
70 61 71 2
71 66 72 1
72 67 73 1
73 67 74 1 #Up
74 68 75 1 #Up
75 72 76 1
76 73 77 1 #Up
77 74 78 1
78 74 79 1 #Down
79 76 80 1
80 78 81 1
81 80 82 1
82 82 83 1
83 7 10 1
84 35 43 1
85 40 45 1
86 68 73 1
87 61 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 96 97 1
101 97 98 1
102 98 99 1
103 99 100 1
104 85 101 1 #Up
105 54 102 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
116 112 113 1
117 113 114 1
118 114 115 1
119 115 116 1
120 103 117 1 #Down
121 14 118 1
122 83 119 1
123 119 120 1
124 27 121 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
134 130 131 1
135 131 132 1
136 132 133 1
137 133 134 1
138 118 135 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
150 146 147 1
151 147 148 1
152 148 149 1
153 149 150 1
154 135 151 1 #Down
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
169 165 166 1
170 166 167 1
171 167 168 1
172 168 169 1
173 152 170 2
174 65 171 1
175 171 172 1
176 172 173 1
177 121 174 2
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