Entry |
|
Name |
|
Formula |
C30H49N8O18P3S
|
Exact mass |
934.2098
|
Mol weight |
934.7391
|
Structure |
|
Reaction |
|
Pathway |
map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
|
Enzyme |
6.2.1.-
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C12450 Pseudoecgonyl-CoA
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from ornithine
Tropane alkaloids
C12450 Pseudoecgonyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 60
1 S2a S 14.3500 -20.5800
2 C1b C 15.3300 -19.8800
3 C1b C 16.5900 -20.5800
4 N1b N 17.7800 -19.8800
5 C5a C 18.9700 -20.5800
6 C1b C 20.2300 -19.8800
7 C1b C 21.4200 -20.5800
8 N1b N 22.6100 -19.8800
9 C5a C 23.8700 -20.5800
10 C1c C 25.0600 -19.8800
11 C1d C 26.2500 -20.5800
12 C1b C 27.4400 -19.8800
13 O2b O 28.7000 -20.5800
14 O5a O 18.9700 -21.9800
15 O5a O 23.8700 -21.9800
16 O1a O 25.0600 -18.4800
17 C1a C 26.2500 -19.1800
18 C1a C 26.2500 -21.9800
19 P1b P 30.1000 -20.5800
20 O1c O 31.5000 -20.5800
21 O1c O 30.1000 -21.9800
22 C1y C 23.5900 -15.6100
23 C1y C 24.9900 -15.6100
24 C1y C 25.4100 -14.2800
25 O2x O 24.2900 -13.4400
26 C1y C 23.1700 -14.2800
27 C1b C 26.7400 -13.8600
28 O1a O 22.7500 -16.7300
29 O2b O 25.8300 -16.7300
30 P1b P 27.2300 -16.7300
31 O1c O 27.2300 -15.3300
32 O1c O 28.6300 -16.7300
33 O1c O 27.2300 -18.1300
34 C8y C 19.0400 -12.4600
35 C8y C 19.0400 -13.8600
36 N4y N 21.4900 -13.8600
37 C8x C 21.4900 -12.4600
38 N5x N 20.2300 -11.7600
39 C8y C 17.8500 -11.7600
40 N5x N 16.5900 -12.4600
41 C8x C 16.5900 -13.8600
42 N5x N 17.8500 -14.5600
43 N1a N 17.8500 -10.3600
44 O2b O 28.7000 -14.2800
45 P1b P 30.1000 -14.2800
46 O1c O 30.1000 -12.8800
47 O1c O 31.5000 -14.2800
48 O2c O 30.1000 -17.5000
49 C1x C 12.3200 -22.8200
50 C1y C 10.9200 -21.8400
51 C1y C 10.8500 -22.8200
52 N1y N 10.1500 -21.0000
53 C1x C 9.9400 -22.4000
54 C1x C 9.4500 -23.4500
55 C1a C 10.0800 -19.6000
56 C1y C 12.3200 -21.8400
57 C1y C 13.3000 -23.3100
58 O1a O 14.6300 -23.1700
59 C5a C 12.9500 -20.6500
60 O5a O 12.2500 -19.4600
BOND 64
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 53 54 1
52 52 55 1
53 57 49 1
54 56 50 1
55 56 57 1
56 49 51 1
57 57 58 1 #Up
58 50 52 1
59 56 59 1 #Down
60 50 53 1
61 59 1 1
62 51 54 1
63 59 60 2
64 51 52 1
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