| Entry |
|
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| Name |
Lauroyl-KDO2-lipid IV(A);
Dodecanoyl-KDO2-lipid IV(A)
|
|---|
| Formula |
C96H176N2O38P2
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| Exact mass |
2027.1376
|
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| Mol weight |
2028.36
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| Structure |
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| Reaction |
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| Pathway |
| map00540 | Lipopolysaccharide biosynthesis |
|
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| Module |
| M00060 | KDO2-lipid A biosynthesis, Raetz pathway, LpxL-LpxM type |
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL02 Acylaminosugar glycans
C06251 Lauroyl-KDO2-lipid IV(A)
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| Other DBs |
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| KCF data |
ATOM 138
1 C1y C 19.0395 -13.5871
2 C1y C 20.2581 -12.8867
3 C1y C 17.8305 -12.8867
4 O7a O 19.0395 -14.9880
5 C1y C 20.2581 -11.4764
6 N1b N 21.4667 -13.6572
7 C1y C 17.8305 -11.4764
8 O2b O 16.6028 -13.5871
9 C7a C 17.8305 -15.6980
10 O2x O 19.0395 -10.7761
11 O2a O 21.4667 -10.7761
12 C5a C 21.4667 -14.9880
13 C1b C 16.6028 -10.7761
14 P1b P 15.2019 -13.5776
15 C1b C 17.8403 -17.0985
16 O6a O 16.6122 -14.9974
17 C1b C 22.6854 -10.0758
18 C1b C 22.6854 -15.6883
19 O5a O 20.2675 -15.6883
20 O2a O 16.6028 -9.3753
21 O1c O 15.1924 -12.1767
22 O1c O 13.7915 -13.5776
23 O1c O 15.1924 -14.9880
24 C1c C 16.6122 -17.7988
25 C1y C 23.9132 -10.7761
26 C1c C 22.6948 -17.0985
27 C1z C 16.5930 -7.9649
28 C1b C 16.6122 -19.2092
29 O1a O 15.3938 -17.0985
30 C1y C 23.9132 -12.1864
31 O2x O 25.1221 -10.0758
32 O7a O 23.9132 -17.8086
33 C1b C 21.4764 -17.7988
34 C1x C 15.3746 -8.6655
35 O2x O 16.5930 -6.5546
36 C6a C 17.8690 -8.4640
37 C1b C 15.4033 -19.9095
38 C1y C 25.1221 -12.8867
39 O1a O 22.6854 -12.6764
40 C1y C 26.3407 -10.7761
41 C7a C 23.9229 -19.2092
42 C1b C 21.4764 -19.1997
43 C1y C 14.1560 -7.9649
44 C1y C 15.3746 -5.8543
45 O6a O 17.8662 -9.8455
46 O6a O 19.0300 -7.7251
47 C1b C 15.4033 -21.3104
48 C1y C 26.3407 -12.1864
49 O7a O 25.1221 -14.2877
50 O2b O 27.5493 -10.0758
51 C1b C 22.7046 -19.9095
52 O6a O 25.1413 -19.9095
53 C1b C 20.2581 -19.9095
54 O2a O 13.0623 -8.7133
55 C1y C 14.1560 -6.5546
56 C1c C 15.2595 -4.4153
57 C1b C 14.1849 -22.0204
58 N1b N 27.5493 -12.8867
59 C7a C 26.3502 -14.9880
60 P1b P 27.5493 -8.6750
61 C1b C 22.7046 -21.3199
62 C1b C 20.2581 -21.3199
63 C1z C 11.8823 -9.4234
64 O1a O 12.9184 -5.9311
65 C1b C 16.4202 -3.6668
66 O1a O 14.0219 -3.7915
67 C1b C 14.1849 -23.4211
68 C5a C 28.7774 -12.1864
69 C1b C 26.3502 -16.3983
70 O6a O 27.5590 -14.3578
71 O1c O 26.1488 -8.6655
72 O1c O 27.5399 -7.2646
73 O1c O 28.9502 -8.6750
74 C1b C 21.4957 -22.0204
75 C1b C 19.0395 -22.0107
76 O2x O 10.6639 -8.7709
77 C1x C 11.8411 -10.8145
78 C6a C 13.0720 -10.1142
79 O1a O 16.4232 -2.2855
80 C1b C 12.9761 -24.1213
81 C1b C 29.9863 -12.8867
82 O5a O 28.7680 -10.7761
83 C1c C 27.5590 -17.0985
84 C1b C 21.4957 -23.4308
85 C1b C 19.0492 -23.4211
86 C1y C 9.4742 -9.4904
87 C1y C 10.7310 -11.5532
88 O6a O 14.2712 -9.4042
89 O6a O 13.0211 -11.4956
90 C1b C 12.9666 -25.5316
91 C1c C 29.9960 -14.2877
92 C1b C 27.5590 -18.4992
93 O1a O 28.7774 -16.3885
94 C1b C 20.2867 -24.1311
95 C1b C 17.8403 -24.1311
96 C1y C 9.5030 -10.8722
97 C1c C 8.2462 -8.8188
98 O1a O 10.7600 -12.9346
99 C1b C 11.7577 -26.2322
100 C1b C 31.2047 -14.9880
101 O1a O 28.9877 -15.1282
102 C1b C 28.7872 -19.1997
103 C1b C 20.2867 -25.5414
104 C1b C 17.8403 -25.5316
105 O1a O 8.3037 -11.6011
106 C1b C 8.2876 -7.4374
107 O1a O 7.0662 -9.5480
108 C1b C 11.7479 -27.6328
109 C1b C 31.1953 -16.4175
110 C1b C 28.7872 -20.6101
111 C1b C 19.0684 -26.2417
112 C1b C 16.6219 -26.2322
113 O1a O 6.9989 -6.7850
114 C1b C 10.5391 -28.3332
115 C1b C 32.4328 -17.1370
116 C1b C 29.9960 -21.3199
117 C1b C 19.0779 -27.6426
118 C1b C 16.6219 -27.6426
119 C1a C 10.5296 -29.7435
120 C1b C 32.4328 -18.5568
121 C1b C 30.0055 -22.7208
122 C1b C 17.8595 -28.3523
123 C1a C 15.4131 -28.3429
124 C1b C 33.6609 -19.2765
125 C1b C 31.2145 -23.4115
126 C1b C 17.8595 -29.7532
127 C1b C 33.6512 -20.6772
128 C1b C 31.2145 -24.8121
129 C1a C 16.6506 -30.4630
130 C1b C 34.8698 -21.3872
131 C1b C 32.4328 -25.5222
132 C1b C 34.8601 -22.7878
133 C1b C 32.4233 -26.9228
134 C1b C 36.0787 -23.4979
135 C1b C 33.6417 -27.6234
136 C1b C 36.0689 -24.8984
137 C1a C 33.6417 -29.0337
138 C1a C 37.2873 -25.6084
BOND 141
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 2
19 13 20 1
20 14 21 1
21 14 22 1
22 14 23 2
23 15 24 1
24 25 17 1 #Up
25 18 26 1
26 20 27 1
27 24 28 1
28 24 29 1 #Up
29 25 30 1
30 25 31 1
31 26 32 1 #Down
32 26 33 1
33 27 34 1
34 27 35 1
35 27 36 1 #Up
36 28 37 1
37 30 38 1
38 30 39 1 #Down
39 31 40 1
40 32 41 1
41 33 42 1
42 34 43 1
43 35 44 1
44 36 45 1
45 36 46 2
46 37 47 1
47 38 48 1
48 38 49 1 #Up
49 40 50 1 #Down
50 41 51 1
51 41 52 2
52 42 53 1
53 43 54 1 #Up
54 43 55 1
55 44 56 1 #Up
56 47 57 1
57 48 58 1 #Down
58 49 59 1
59 50 60 1
60 51 61 1
61 53 62 1
62 63 54 1 #Down
63 55 64 1 #Up
64 56 65 1
65 56 66 1 #Down
66 57 67 1
67 58 68 1
68 59 69 1
69 59 70 2
70 60 71 1
71 60 72 1
72 60 73 2
73 61 74 1
74 62 75 1
75 63 76 1
76 63 77 1
77 63 78 1 #Up
78 65 79 1
79 67 80 1
80 68 81 1
81 68 82 2
82 69 83 1
83 74 84 1
84 75 85 1
85 76 86 1
86 77 87 1
87 78 88 1
88 78 89 2
89 80 90 1
90 81 91 1
91 83 92 1
92 83 93 1 #Down
93 84 94 1
94 85 95 1
95 86 96 1
96 86 97 1 #Up
97 87 98 1 #Up
98 90 99 1
99 91 100 1
100 91 101 1 #Up
101 92 102 1
102 94 103 1
103 95 104 1
104 96 105 1 #Up
105 97 106 1
106 97 107 1 #Down
107 99 108 1
108 100 109 1
109 102 110 1
110 103 111 1
111 104 112 1
112 106 113 1
113 108 114 1
114 109 115 1
115 110 116 1
116 111 117 1
117 112 118 1
118 114 119 1
119 115 120 1
120 116 121 1
121 117 122 1
122 118 123 1
123 120 124 1
124 121 125 1
125 122 126 1
126 124 127 1
127 125 128 1
128 126 129 1
129 127 130 1
130 128 131 1
131 130 132 1
132 131 133 1
133 132 134 1
134 133 135 1
135 134 136 1
136 135 137 1
137 136 138 1
138 7 10 1
139 40 48 1
140 44 55 1
141 87 96 1
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