| Entry |
|
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| Name |
Lipid IVB;
2-Deoxy-2-{[(3R)-3-hydroxytetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phospho-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-(hexadecanoyloxy)tetradecanoyl]amino}-1-O-phospho-alpha-D-glucopyranose
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| Formula |
C84H160N2O24P2
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| Exact mass |
1643.0836
|
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| Mol weight |
1644.1157
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| Structure |
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| Reaction |
|
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| Pathway |
| map00540 | Lipopolysaccharide biosynthesis |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL01 Acylaminosugars
SL0105 Pentaacylaminosugars
C21982 Lipid IVB
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 112
1 C1y C 12.8152 -10.2078
2 C1y C 14.0122 -9.5172
3 C1y C 11.6179 -9.5172
4 O7a O 12.8152 -11.5983
5 C1y C 14.0122 -8.1267
6 N1b N 15.2095 -10.2078
7 C1y C 11.6179 -8.1267
8 O2b O 10.4026 -10.2078
9 C7a C 11.6179 -12.2984
10 O2x O 12.8152 -7.4267
11 O2a O 15.2095 -7.4267
12 C5a C 15.2095 -11.5983
13 C1b C 10.4026 -7.4267
14 P1b P 9.0120 -10.1987
15 C1b C 11.6179 -13.6887
16 O6a O 10.4117 -11.5983
17 C1b C 16.4157 -6.7360
18 C1b C 16.4157 -12.2984
19 O5a O 14.0122 -12.2984
20 O1a O 10.4026 -6.0365
21 O1c O 9.0026 -8.8172
22 O1c O 7.6214 -10.1987
23 O1c O 9.0026 -11.5894
24 C1c C 10.4117 -14.3794
25 C1y C 17.6221 -7.4360
26 C1c C 16.4249 -13.6887
27 C1b C 10.4117 -15.7700
28 O1a O 9.2054 -13.6887
29 C1y C 17.6221 -8.8172
30 O2x O 18.8283 -6.7455
31 C1b C 15.2187 -14.3794
32 O1a O 17.6312 -14.3794
33 C1b C 9.2054 -16.4699
34 C1y C 18.8283 -9.5172
35 O1a O 16.4157 -9.1005
36 C1y C 20.0350 -7.4360
37 C1b C 15.2187 -15.7606
38 C1b C 9.2145 -17.8602
39 C1y C 20.0350 -8.8172
40 O7a O 18.9329 -11.0216
41 O2b O 21.2319 -6.7455
42 C1b C 14.0122 -16.4605
43 C1b C 8.0082 -18.5510
44 N1b N 21.9960 -9.5172
45 P1b P 21.2319 -5.3548
46 C1b C 14.0122 -17.8602
47 C1b C 8.0082 -19.9416
48 C5a C 23.2024 -8.8172
49 O1c O 19.8413 -5.3454
50 O1c O 21.2227 -3.9642
51 O1c O 22.6224 -5.3548
52 C1b C 12.8152 -18.5418
53 C1b C 6.8018 -20.6322
54 C1b C 24.3994 -9.5172
55 O5a O 23.1931 -7.4267
56 C1b C 12.8152 -19.9324
57 C1b C 6.8018 -22.0228
58 C1c C 24.4088 -10.9077
59 C1b C 11.6179 -20.6415
60 C1b C 5.5957 -22.7134
61 C1b C 25.6058 -11.5983
62 O7a O 23.2024 -11.5983
63 C1b C 11.6179 -22.0319
64 C1b C 5.5957 -24.1041
65 C1b C 25.5967 -13.0074
66 C1b C 10.4208 -22.7227
67 C1b C 4.3890 -24.8037
68 C1b C 26.8214 -13.7256
69 C1b C 10.4208 -24.1131
70 C1a C 4.3890 -26.1943
71 C1b C 26.8214 -15.1346
72 C1a C 9.2145 -24.8131
73 C1b C 27.9672 -15.8343
74 C1b C 28.0278 -17.2249
75 C1b C 29.1643 -17.9247
76 C1b C 29.2250 -19.3155
77 C1b C 30.4313 -20.0060
78 C1b C 30.4223 -21.3965
79 C1a C 31.6195 -22.1056
80 C7a C 23.1846 -13.0284
81 C1b C 24.3975 -13.7294
82 C1b C 24.3969 -15.1303
83 C1b C 25.6099 -15.8314
84 C1b C 25.6093 -17.2324
85 C1b C 26.8222 -17.9333
86 C1b C 26.8216 -19.3343
87 C1b C 28.0345 -20.0353
88 C1b C 28.0339 -21.4363
89 C1b C 29.2469 -22.1373
90 C1b C 29.2462 -23.5383
91 C1b C 30.4593 -24.2392
92 C1b C 30.4586 -25.6402
93 C1b C 31.6716 -26.3412
94 C1b C 31.6710 -27.7422
95 C1a C 32.8839 -28.4432
96 O6a O 21.9673 -13.7208
97 C7a C 18.9304 -12.4803
98 C1b C 20.1444 -13.1820
99 C1c C 20.1437 -14.5843
100 C1b C 21.3579 -15.2860
101 C1b C 21.3572 -16.6883
102 C1b C 22.5713 -17.3900
103 C1b C 22.5707 -18.7923
104 C1b C 23.7848 -19.4940
105 C1b C 23.7842 -20.8963
106 C1b C 24.9983 -21.5980
107 C1b C 24.9977 -23.0003
108 C1b C 26.2118 -23.7019
109 C1b C 26.2111 -25.1042
110 C1a C 27.4253 -25.8060
111 O6a O 17.7036 -13.1871
112 O1a O 18.9537 -15.2704
BOND 113
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 24 27 1
27 24 28 1 #Up
28 25 29 1
29 25 30 1
30 26 31 1
31 26 32 1 #Down
32 27 33 1
33 29 34 1
34 29 35 1 #Down
35 30 36 1
36 31 37 1
37 33 38 1
38 34 39 1
39 34 40 1 #Up
40 36 41 1 #Down
41 37 42 1
42 38 43 1
43 39 44 1 #Down
44 41 45 1
45 42 46 1
46 43 47 1
47 44 48 1
48 45 49 1
49 45 50 1
50 45 51 2
51 46 52 1
52 47 53 1
53 48 54 1
54 48 55 2
55 52 56 1
56 53 57 1
57 54 58 1
58 56 59 1
59 57 60 1
60 58 61 1
61 58 62 1 #Up
62 59 63 1
63 60 64 1
64 61 65 1
65 63 66 1
66 64 67 1
67 65 68 1
68 66 69 1
69 67 70 1
70 68 71 1
71 69 72 1
72 71 73 1
73 73 74 1
74 74 75 1
75 75 76 1
76 76 77 1
77 77 78 1
78 78 79 1
79 7 10 1
80 36 39 1
81 62 80 1
82 80 81 1
83 81 82 1
84 82 83 1
85 83 84 1
86 84 85 1
87 85 86 1
88 86 87 1
89 87 88 1
90 88 89 1
91 89 90 1
92 90 91 1
93 91 92 1
94 92 93 1
95 93 94 1
96 94 95 1
97 80 96 2
98 97 98 1
99 98 99 1
100 99 100 1
101 100 101 1
102 101 102 1
103 102 103 1
104 103 104 1
105 104 105 1
106 105 106 1
107 106 107 1
108 107 108 1
109 108 109 1
110 109 110 1
111 97 111 2
112 99 112 1 #Up
113 40 97 1
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