Entry |
|
Name |
|
Formula |
C28H40N7O18P3S
|
Exact mass |
887.1363
|
Mol weight |
887.64
|
Structure |
|
Reaction |
|
Pathway |
map00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
map01120 | Microbial metabolism in diverse environments |
map01220 | Degradation of aromatic compounds |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 57
1 C8y C 30.4024 -35.6300
2 C5a C 31.6149 -34.9300
3 S2a S 32.8273 -35.6300
4 C1b C 34.0397 -34.9300
5 C1b C 35.2522 -35.6300
6 N1b N 36.4646 -34.9300
7 C5a C 37.6770 -35.6300
8 C1b C 38.8895 -34.9300
9 C1b C 40.1019 -35.6300
10 N1b N 41.3144 -34.9300
11 C5a C 42.5268 -35.6300
12 C1c C 43.7392 -34.9300
13 C1d C 44.9517 -35.6300
14 C1b C 46.1641 -34.9300
15 O2b O 47.3765 -35.6300
16 O5a O 31.6149 -33.5302
17 O5a O 37.6770 -37.0299
18 O5a O 42.5268 -37.0296
19 O1a O 43.7392 -33.5300
20 C1a C 44.9517 -34.2300
21 C1a C 44.9517 -37.0300
22 P1b P 48.7765 -35.6300
23 O1c O 50.1765 -35.6300
24 O1c O 48.7765 -37.0300
25 C1y C 42.2800 -30.6600
26 C1y C 43.6800 -30.6600
27 C1y C 44.1126 -29.3285
28 O2x O 42.9800 -28.5056
29 C1y C 41.8474 -29.3285
30 C1b C 45.4322 -28.8997
31 O1a O 41.4571 -31.7926
32 O2b O 44.5029 -31.7926
33 P1b P 45.9029 -31.7926
34 O1c O 45.9029 -30.3926
35 O1c O 47.3029 -31.7926
36 O1c O 45.9029 -33.1926
37 C8y C 37.7300 -27.5100
38 C8y C 37.7300 -28.9100
39 N4y N 40.1549 -28.9100
40 C8x C 40.1549 -27.5100
41 N5x N 38.9424 -26.8100
42 C8y C 36.5176 -26.8100
43 N5x N 35.3051 -27.5100
44 C8x C 35.3051 -28.9100
45 N5x N 36.5176 -29.6100
46 N1a N 36.5176 -25.4102
47 O2b O 47.4145 -29.3320
48 P1b P 48.8145 -29.3320
49 O1c O 48.8145 -27.9320
50 O1c O 50.2145 -29.3320
51 O2c O 48.8145 -32.5520
52 C8x C 29.1733 -34.9202
53 C8x C 27.9608 -35.6200
54 C8y C 27.9606 -37.0200
55 C8x C 29.1897 -37.7298
56 C8x C 30.4022 -37.0300
57 O1a O 26.7209 -37.7357
BOND 60
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 55 56 2
59 1 56 1
60 54 57 1
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