 | | COMPOUND: C19884 | |
Entry |
|
Name |
|
Formula |
C73H139N3O26P2
|
Exact mass |
1535.9122
|
Mol weight |
1536.8368
|
Structure |

|
Reaction |
|
Pathway |
map00540 | Lipopolysaccharide biosynthesis |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL01 Acylaminosugars
SL0104 Tetraacylaminosugars
C19884 Lipid IIA
|
Other DBs |
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KCF data |
ATOM 104
1 C1x C 21.0272 -5.0456
2 C1y C 21.0272 -6.4238
3 C1y C 22.1987 -7.1129
4 C1y C 23.4391 -6.4238
5 C1y C 23.4391 -5.0456
6 O2x O 22.1987 -4.3566
7 N1a N 19.8558 -7.1129
8 O1a O 22.1817 -8.4910
9 O1a O 24.1281 -7.6174
10 C1y C 16.9616 -12.2811
11 C1y C 15.8590 -11.5920
12 C1y C 18.2020 -11.5920
13 O7a O 16.9616 -13.6593
14 C1y C 15.8590 -10.2138
15 O2b O 14.6875 -12.2811
16 C1y C 18.2020 -10.2138
17 N1b N 19.3734 -12.2811
18 C7a C 15.8590 -14.2795
19 O2x O 16.9616 -9.5247
20 C1b C 14.6187 -9.5247
21 P1b P 13.3094 -12.2811
22 O2a O 19.3734 -9.5247
23 C5a C 19.3734 -13.6593
24 C1b C 15.8590 -15.6577
25 O6a O 14.6875 -13.6593
26 O1a O 14.6187 -8.1466
27 O1c O 13.3094 -10.9029
28 O1c O 11.9312 -12.2811
29 O1c O 13.3094 -13.6593
30 C1b C 20.5448 -8.8356
31 C1b C 20.5448 -14.2795
32 O5a O 18.2020 -14.2795
33 C1c C 14.6875 -16.3467
34 C1y C 21.7853 -9.5247
35 C1c C 20.5448 -15.6577
36 C1b C 14.6875 -17.7249
37 O1a O 13.5162 -15.6577
38 C1y C 21.7853 -10.9029
39 O2x O 22.9566 -8.8356
40 C1b C 19.3734 -16.3467
41 O1a O 21.7853 -16.3467
42 C1b C 13.5162 -18.4140
43 C1y C 22.9566 -11.5920
44 O1a O 20.5448 -11.2475
45 C1y C 24.1281 -9.5247
46 C1b C 19.3734 -17.7249
47 C1b C 13.5162 -19.7922
48 C1y C 24.1281 -10.9029
49 O7a O 22.9566 -12.9701
50 O2b O 26.1265 -7.3886
51 C1b C 18.2020 -18.4140
52 C1b C 12.2758 -20.4812
53 N1b N 26.0576 -11.5920
54 C7a C 24.1281 -13.6593
55 P1b P 26.1265 -6.0792
56 C1b C 18.2020 -19.7922
57 C1b C 12.2758 -21.8594
58 C5a C 27.2980 -10.9029
59 C1b C 24.1281 -14.9685
60 O6a O 25.2307 -12.9701
61 O1c O 24.8172 -6.0104
62 O1c O 27.5047 -6.0792
63 C1b C 16.9616 -20.4812
64 C1b C 11.1043 -22.4796
65 C1b C 28.4695 -11.5920
66 O5a O 27.3669 -9.5247
67 C1c C 25.2996 -15.6577
68 C1b C 16.9616 -21.8594
69 C1b C 11.1043 -23.8578
70 C1c C 28.4695 -12.9701
71 C1b C 25.2996 -17.0358
72 O1a O 26.4711 -14.9685
73 C1b C 15.8590 -22.4796
74 C1b C 9.9328 -24.5470
75 C1b C 29.6408 -13.6593
76 O1a O 27.2980 -13.6593
77 C1b C 26.4711 -17.7249
78 C1b C 15.8590 -23.8578
79 C1b C 9.9328 -25.9251
80 C1b C 29.6408 -14.9685
81 C1b C 26.4711 -19.1031
82 C1b C 14.6875 -24.5470
83 C1b C 8.6925 -26.6142
84 C1b C 30.8812 -15.7266
85 C1b C 27.6425 -19.7922
86 C1b C 14.6875 -25.9251
87 C1a C 8.6925 -27.9924
88 C1b C 30.8812 -17.1048
89 C1b C 27.6425 -21.1704
90 C1a C 13.5162 -26.6142
91 C1b C 32.0527 -17.7938
92 C1b C 28.8829 -21.8594
93 C1b C 32.0527 -19.1720
94 C1b C 28.8829 -23.1688
95 C1b C 33.1553 -19.8611
96 C1b C 30.0543 -23.8578
97 C1b C 33.1553 -21.2393
98 C1b C 30.0543 -25.2360
99 C1b C 34.3956 -21.9284
100 C1b C 31.2258 -25.9251
101 C1b C 34.3956 -23.2376
102 C1a C 31.2258 -27.3033
103 C1a C 35.5671 -23.9267
104 O2b O 26.1265 -4.7011
BOND 106
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1 #Up
8 3 8 1 #Up
9 4 9 1 #Down
10 10 11 1
11 10 12 1
12 10 13 1 #Up
13 11 14 1
14 11 15 1 #Down
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 14 19 1
19 14 20 1 #Up
20 15 21 1
21 16 22 1 #Up
22 17 23 1
23 18 24 1
24 18 25 2
25 20 26 1
26 21 27 1
27 21 28 1
28 21 29 2
29 22 30 1
30 23 31 1
31 23 32 2
32 24 33 1
33 34 30 1 #Up
34 31 35 1
35 33 36 1
36 33 37 1 #Up
37 34 38 1
38 34 39 1
39 35 40 1
40 35 41 1 #Down
41 36 42 1
42 38 43 1
43 38 44 1 #Down
44 39 45 1
45 40 46 1
46 42 47 1
47 43 48 1
48 43 49 1 #Up
49 45 50 1 #Down
50 46 51 1
51 47 52 1
52 48 53 1 #Down
53 49 54 1
54 50 55 1
55 51 56 1
56 52 57 1
57 53 58 1
58 54 59 1
59 54 60 2
60 55 61 1
61 55 62 2
62 56 63 1
63 57 64 1
64 58 65 1
65 58 66 2
66 59 67 1
67 63 68 1
68 64 69 1
69 65 70 1
70 67 71 1
71 67 72 1 #Down
72 68 73 1
73 69 74 1
74 70 75 1
75 70 76 1 #Up
76 71 77 1
77 73 78 1
78 74 79 1
79 75 80 1
80 77 81 1
81 78 82 1
82 79 83 1
83 80 84 1
84 81 85 1
85 82 86 1
86 83 87 1
87 84 88 1
88 85 89 1
89 86 90 1
90 88 91 1
91 89 92 1
92 91 93 1
93 92 94 1
94 93 95 1
95 94 96 1
96 95 97 1
97 96 98 1
98 97 99 1
99 98 100 1
100 99 101 1
101 100 102 1
102 101 103 1
103 16 19 1
104 45 48 1
105 55 104 1
106 5 104 1 #Down
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