| | COMPOUND: C16465 | |
Entry |
|
Name |
|
Formula |
C31H50N7O17P3S
|
Exact mass |
917.2197
|
Mol weight |
917.7517
|
Structure |
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Reaction |
|
Pathway |
map00907 | Pinene, camphor and geraniol degradation |
map01120 | Microbial metabolism in diverse environments |
|
Enzyme |
2.8.3.- 5.2.1.-
|
Other DBs |
|
KCF data |
ATOM 59
1 C1a C 5.6000 -20.7900
2 C2c C 6.7900 -20.0900
3 C2b C 8.0500 -20.7900
4 C1b C 9.2400 -20.0900
5 C1b C 10.4300 -20.7900
6 C2c C 11.6900 -20.0900
7 C2b C 12.8800 -20.7900
8 C1a C 6.7900 -18.6900
9 C1a C 11.6900 -18.6900
10 C5a C 14.1400 -20.0900
11 S2a S 15.3300 -20.7900
12 C1b C 16.5200 -20.0900
13 C1b C 17.7800 -20.7900
14 N1b N 18.9700 -20.0900
15 C5a C 20.1600 -20.7900
16 C1b C 21.4200 -20.0900
17 C1b C 22.6100 -20.7900
18 N1b N 23.8000 -20.0900
19 C5a C 25.0600 -20.7900
20 C1c C 26.2500 -20.0900
21 C1d C 27.4400 -20.7900
22 C1b C 28.6300 -20.0900
23 O2b O 29.8900 -20.7900
24 O5a O 14.1400 -18.6900
25 O5a O 20.1600 -22.1900
26 O5a O 25.0600 -22.1900
27 O1a O 26.2500 -18.6900
28 C1a C 27.4400 -19.3900
29 C1a C 27.4400 -22.1900
30 P1b P 31.2900 -20.7900
31 O1c O 32.6900 -20.7900
32 O1c O 31.2900 -22.1900
33 C1y C 24.7800 -15.8200
34 C1y C 26.1800 -15.8200
35 C1y C 26.6000 -14.4900
36 O2x O 25.4800 -13.6500
37 C1y C 24.3600 -14.4900
38 C1b C 27.9300 -14.0700
39 O1a O 23.9400 -16.9400
40 O2b O 27.0200 -16.9400
41 P1b P 28.4200 -16.9400
42 O1c O 28.4200 -15.5400
43 O1c O 29.8200 -16.9400
44 O1c O 28.4200 -18.3400
45 C8y C 20.2300 -12.6700
46 C8y C 20.2300 -14.0700
47 N4y N 22.6800 -14.0700
48 C8x C 22.6800 -12.6700
49 N5x N 21.4200 -11.9700
50 C8y C 19.0400 -11.9700
51 N5x N 17.7800 -12.6700
52 C8x C 17.7800 -14.0700
53 N5x N 19.0400 -14.7700
54 N1a N 19.0400 -10.5700
55 O2b O 29.8900 -14.4900
56 P1b P 31.2900 -14.4900
57 O1c O 31.2900 -13.0900
58 O1c O 32.6900 -14.4900
59 O2c O 31.2900 -17.7100
BOND 61
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 2 8 1
8 6 9 1
9 7 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 10 24 2
24 15 25 2
25 19 26 2
26 20 27 1 #Down
27 21 28 1
28 21 29 1
29 23 30 1
30 30 31 2
31 30 32 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 33 37 1
37 35 38 1 #Down
38 33 39 1 #Up
39 34 40 1 #Up
40 40 41 1
41 41 42 1
42 41 43 1
43 41 44 2
44 45 46 2
45 46 47 1
46 47 48 1
47 48 49 2
48 45 49 1
49 45 50 1
50 50 51 2
51 51 52 1
52 52 53 2
53 46 53 1
54 50 54 1
55 37 47 1 #Down
56 38 55 1
57 55 56 1
58 56 57 1
59 56 58 2
60 56 59 1
61 30 59 1
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