Entry |
|
Name |
1-PEtN-KDO-lipid A;
H. pylori KDO-lipid A 1-(2-aminoethyl phosphate)
|
Formula |
C122H231N3O32P2
|
Exact mass |
2312.6016
|
Mol weight |
2314.08
|
Structure |

|
Reaction |
|
Pathway |
map00540 | Lipopolysaccharide biosynthesis |
|
Module |
M00867 | KDO2-lipid A modification pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL02 Acylaminosugar glycans
C21996 1-PEtN-KDO-lipid A
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 159
1 C1y C 13.8526 -13.5023
2 C1y C 12.6635 -12.8028
3 C1y C 15.1117 -12.8028
4 O7a O 13.8526 -14.9013
5 C1y C 12.6635 -11.4039
6 O2b O 11.4744 -13.5023
7 C1y C 15.1117 -11.4039
8 N1b N 16.3008 -13.5023
9 C7a C 12.6635 -15.6008
10 O2x O 13.8526 -10.7043
11 C1b C 11.4044 -10.7043
12 P1b P 10.0753 -13.5023
13 O2a O 16.3008 -10.7043
14 C5a C 16.3008 -14.9013
15 C1b C 12.6635 -16.9998
16 O6a O 11.4744 -14.9013
17 O2a O 11.4044 -9.3055
18 O1c O 10.0753 -12.1033
19 O1c O 8.6764 -13.5023
20 O1c O 10.0753 -14.9013
21 C1b C 17.4899 -10.0748
22 O5a O 15.1117 -15.6008
23 C1c C 11.4744 -17.6992
24 C1z C 11.4744 -7.9064
25 C1y C 18.7490 -10.7043
26 C1b C 11.4744 -19.0982
27 O7a O 10.2852 -16.9998
28 C1x C 10.2152 -8.6060
29 O2x O 11.4744 -6.5075
30 C6a C 12.7334 -8.4661
31 C1y C 18.7490 -12.1033
32 O2x O 19.9381 -10.0748
33 C1b C 10.2852 -19.7977
34 C1y C 9.0262 -7.9064
35 C1y C 10.2152 -5.8079
36 O6a O 12.8034 -9.6551
37 O6a O 13.8526 -7.6966
38 C1y C 19.9381 -12.8028
39 O1a O 17.4899 -12.4531
40 C1y C 21.1272 -10.7043
41 C1b C 10.2852 -21.1968
42 O1a O 7.9070 -8.6759
43 C1y C 9.0262 -6.5075
44 C1c C 10.1453 -4.4090
45 C1y C 21.1272 -12.1033
46 O7a O 19.9381 -14.2018
47 O2b O 22.3863 -10.0748
48 C1b C 9.0262 -21.8962
49 O1a O 7.7670 -5.8778
50 C1b C 11.2646 -3.6397
51 O1a O 8.8863 -3.7795
52 N1b N 23.1558 -12.8028
53 C7a C 21.1272 -14.9013
54 P1b P 22.3863 -8.6759
55 C1b C 9.0262 -23.2952
56 O1a O 11.2646 -2.3106
57 C5a C 24.4148 -12.1033
58 O6a O 22.3863 -14.2018
59 O1c O 20.9175 -8.6760
60 O1c O 22.3864 -7.2069
61 O2b O 23.7154 -8.6060
62 C1b C 7.8369 -23.9946
63 O5a O 24.4147 -10.7043
64 C1b C 7.8369 -25.3936
65 C1b C 6.6479 -26.0931
66 C1b C 6.6479 -27.4920
67 C1b C 5.3888 -28.1916
68 C1b C 5.3888 -29.5905
69 C1b C 25.6040 -12.8028
70 C1c C 25.6040 -14.2018
71 C1b C 26.8630 -14.9013
72 C1b C 26.8630 -16.3003
73 C1b C 28.0522 -16.9998
74 C1b C 28.0522 -18.3988
75 C1b C 29.2413 -19.0982
76 C1b C 29.2413 -20.4972
77 C1b C 30.5004 -21.1968
78 C1b C 30.5004 -22.5956
79 C1b C 31.6895 -23.2952
80 C1b C 31.6895 -24.6941
81 C1b C 32.8787 -25.3936
82 C1b C 32.8787 -26.7925
83 C1b C 34.1377 -27.4920
84 C1b C 34.1377 -28.8911
85 C1a C 35.3968 -29.5905
86 O1a O 24.4148 -14.9013
87 C1b C 21.1272 -16.3003
88 C1c C 22.3164 -16.9998
89 C1b C 22.3164 -18.3988
90 C1b C 23.5755 -19.0982
91 C1b C 23.5755 -20.4972
92 C1b C 24.7646 -21.1968
93 C1b C 24.7646 -22.5956
94 C1b C 25.9538 -23.2952
95 C1b C 25.9538 -24.6941
96 C1b C 27.2128 -25.3936
97 C1b C 27.2128 -26.7925
98 C1b C 28.4020 -27.4920
99 C1b C 28.4020 -28.8911
100 C1b C 29.5910 -29.5905
101 C1a C 29.5910 -30.9895
102 O1a O 23.5755 -16.3003
103 C1b C 17.4899 -15.6008
104 C1b C 4.1997 -30.2901
105 C1a C 4.1997 -31.6890
106 C7a C 9.0961 -17.6992
107 C1b C 9.0961 -19.0982
108 C1b C 7.8369 -19.7977
109 C1b C 7.8369 -21.1968
110 C1b C 6.6479 -21.8962
111 C1b C 6.6479 -23.2952
112 C1b C 5.4587 -23.9946
113 C1b C 5.4587 -25.3936
114 C1b C 4.2697 -26.0931
115 C1b C 4.2697 -27.4920
116 C1b C 3.0105 -28.1916
117 C1b C 3.0105 -29.5905
118 C1b C 1.8215 -30.2901
119 C1a C 1.8215 -31.6890
120 C1c C 17.4899 -16.9998
121 C1b C 16.3008 -17.6992
122 C1b C 16.3008 -19.0982
123 C1b C 15.1117 -19.7977
124 C1b C 15.1117 -21.1968
125 C1b C 13.8526 -21.8962
126 C1b C 13.8526 -23.2952
127 C1b C 12.6635 -23.9946
128 C1b C 12.6635 -25.3936
129 C1b C 11.4744 -26.0931
130 C1b C 11.4744 -27.4920
131 C1b C 10.2152 -28.1916
132 C1b C 10.2152 -29.5905
133 C1b C 9.0262 -30.2901
134 C1b C 9.0262 -31.6890
135 C1a C 7.8369 -32.3884
136 O7a O 18.6791 -17.6992
137 C7a C 18.6791 -19.0982
138 C1b C 17.4899 -19.7977
139 C1b C 17.4899 -21.1968
140 C1b C 16.3008 -21.8962
141 C1b C 16.3008 -23.2952
142 C1b C 15.0417 -23.9946
143 C1b C 15.0417 -25.3936
144 C1b C 13.8526 -26.0931
145 C1b C 13.8526 -27.4920
146 C1b C 12.6635 -28.1916
147 C1b C 12.6635 -29.5905
148 C1b C 11.4044 -30.2901
149 C1b C 11.4044 -31.6890
150 C1b C 10.2152 -32.3884
151 C1b C 10.2152 -33.7874
152 C1b C 9.0262 -34.4869
153 C1b C 9.0262 -35.8859
154 C1a C 7.7670 -36.5854
155 O6a O 19.8682 -19.7977
156 C1b C 24.9044 -7.9064
157 C1b C 26.1636 -8.6060
158 N1a N 27.3526 -7.9064
159 O6a O 7.8889 -17.0088
BOND 161
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 43 49 1 #Up
49 44 50 1
50 44 51 1 #Down
51 45 52 1 #Down
52 46 53 1
53 47 54 1
54 48 55 1
55 50 56 1
56 52 57 1
57 53 58 2
58 54 59 1
59 54 60 2
60 54 61 1
61 55 62 1
62 57 63 2
63 62 64 1
64 64 65 1
65 65 66 1
66 66 67 1
67 67 68 1
68 7 10 1
69 35 43 1
70 40 45 1
71 57 69 1
72 69 70 1
73 70 71 1
74 71 72 1
75 72 73 1
76 73 74 1
77 74 75 1
78 75 76 1
79 76 77 1
80 77 78 1
81 78 79 1
82 79 80 1
83 80 81 1
84 81 82 1
85 82 83 1
86 83 84 1
87 84 85 1
88 70 86 1 #Up
89 53 87 1
90 87 88 1
91 88 89 1
92 89 90 1
93 90 91 1
94 91 92 1
95 92 93 1
96 93 94 1
97 94 95 1
98 95 96 1
99 96 97 1
100 97 98 1
101 98 99 1
102 99 100 1
103 100 101 1
104 88 102 1 #Down
105 14 103 1
106 68 104 1
107 104 105 1
108 27 106 1
109 106 107 1
110 107 108 1
111 108 109 1
112 109 110 1
113 110 111 1
114 111 112 1
115 112 113 1
116 113 114 1
117 114 115 1
118 115 116 1
119 116 117 1
120 117 118 1
121 118 119 1
122 103 120 1
123 120 121 1
124 121 122 1
125 122 123 1
126 123 124 1
127 124 125 1
128 125 126 1
129 126 127 1
130 127 128 1
131 128 129 1
132 129 130 1
133 130 131 1
134 131 132 1
135 132 133 1
136 133 134 1
137 134 135 1
138 120 136 1 #Down
139 136 137 1
140 137 138 1
141 138 139 1
142 139 140 1
143 140 141 1
144 141 142 1
145 142 143 1
146 143 144 1
147 144 145 1
148 145 146 1
149 146 147 1
150 147 148 1
151 148 149 1
152 149 150 1
153 150 151 1
154 151 152 1
155 152 153 1
156 153 154 1
157 137 155 2
158 61 156 1
159 156 157 1
160 157 158 1
161 106 159 2
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