| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C33H44N7O19P3S
|
|---|
| Exact mass |
967.1626
|
|---|
| Mol weight |
967.73
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02611 (E,E)-Piperoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 63
1 C2b C 33.6700 -36.9600
2 C5a C 34.9300 -36.2600
3 S2a S 36.1200 -36.9600
4 C1b C 37.3100 -36.2600
5 C1b C 38.5700 -36.9600
6 N1b N 39.7600 -36.2600
7 C5a C 40.9500 -36.9600
8 C1b C 42.2100 -36.2600
9 C1b C 43.4000 -36.9600
10 N1b N 44.5900 -36.2600
11 C5a C 45.8500 -36.9600
12 C1c C 47.0400 -36.2600
13 C1d C 48.2300 -36.9600
14 C1b C 49.4200 -36.2600
15 O2b O 50.6800 -36.9600
16 O5a O 34.9300 -34.8600
17 O5a O 40.9500 -38.3600
18 O5a O 45.8500 -38.3600
19 O1a O 47.0400 -34.8600
20 C1a C 48.2300 -35.5600
21 C1a C 48.2300 -38.3600
22 P1b P 52.0800 -36.9600
23 O1c O 53.4800 -36.9600
24 O1c O 52.0800 -38.3600
25 C1y C 45.5700 -31.9900
26 C1y C 46.9700 -31.9900
27 C1y C 47.3900 -30.6600
28 O2x O 46.2700 -29.8200
29 C1y C 45.1500 -30.6600
30 C1b C 48.7200 -30.2400
31 O1a O 44.7300 -33.1100
32 O2b O 47.8100 -33.1100
33 P1b P 49.2100 -33.1100
34 O1c O 49.2100 -31.7100
35 O1c O 50.6100 -33.1100
36 O1c O 49.2100 -34.5100
37 C8y C 41.0200 -28.8400
38 C8y C 41.0200 -30.2400
39 N4y N 43.4700 -30.2400
40 C8x C 43.4700 -28.8400
41 N5x N 42.2100 -28.1400
42 C8y C 39.8300 -28.1400
43 N5x N 38.5700 -28.8400
44 C8x C 38.5700 -30.2400
45 N5x N 39.8300 -30.9400
46 N1a N 39.8300 -26.7400
47 O2b O 50.6800 -30.6600
48 P1b P 52.0800 -30.6600
49 O1c O 52.0800 -29.2600
50 O1c O 53.4800 -30.6600
51 O2c O 52.0800 -33.8800
52 C2b C 32.4800 -36.2600
53 C2b C 31.2900 -36.9600
54 C2b C 30.0300 -36.2600
55 C8y C 28.8400 -36.9600
56 C8x C 27.6500 -36.2600
57 C8x C 28.8400 -38.3600
58 C8y C 26.4600 -36.9600
59 C8x C 27.6500 -39.0600
60 C8y C 26.4600 -38.3600
61 O2x O 25.1300 -36.5400
62 O2x O 25.1300 -38.7800
63 C1x C 24.2900 -37.6600
BOND 67
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 1
59 55 57 2
60 56 58 2
61 57 59 1
62 58 60 1
63 58 61 1
64 60 62 1
65 61 63 1
66 59 60 2
67 62 63 1
|
|---|
