 | | COMPOUND: C12092 | |
| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C29H43N8O17P3S
|
|---|
| Exact mass |
900.168
|
|---|
| Mol weight |
900.6814
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00996 | Biosynthesis of various alkaloids |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C12092 N-Methylanthraniloyl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 58
1 S2a S 13.5100 -20.5800
2 C1b C 14.7000 -19.8800
3 C1b C 15.9600 -20.5800
4 N1b N 17.1500 -19.8800
5 C5a C 18.3400 -20.5800
6 C1b C 19.6000 -19.8800
7 C1b C 20.7900 -20.5800
8 N1b N 21.9800 -19.8800
9 C5a C 23.2400 -20.5800
10 C1c C 24.4300 -19.8800
11 C1d C 25.6200 -20.5800
12 C1b C 26.8100 -19.8800
13 O2b O 28.0700 -20.5800
14 O5a O 18.3400 -21.9800
15 O5a O 23.2400 -21.9800
16 O1a O 24.4300 -18.4800
17 C1a C 25.6200 -19.1800
18 C1a C 25.6200 -21.9800
19 P1b P 29.4700 -20.5800
20 O1c O 30.8700 -20.5800
21 O1c O 29.4700 -21.9800
22 C1y C 22.9600 -15.6100
23 C1y C 24.3600 -15.6100
24 C1y C 24.7800 -14.2800
25 O2x O 23.6600 -13.4400
26 C1y C 22.5400 -14.2800
27 C1b C 26.1100 -13.8600
28 O1a O 22.1200 -16.7300
29 O2b O 25.2000 -16.7300
30 P1b P 26.6000 -16.7300
31 O1c O 26.6000 -15.3300
32 O1c O 28.0000 -16.7300
33 O1c O 26.6000 -18.1300
34 C8y C 18.4100 -12.4600
35 C8y C 18.4100 -13.8600
36 N4y N 20.8600 -13.8600
37 C8x C 20.8600 -12.4600
38 N5x N 19.6000 -11.7600
39 C8y C 17.2200 -11.7600
40 N5x N 15.9600 -12.4600
41 C8x C 15.9600 -13.8600
42 N5x N 17.2200 -14.5600
43 N1a N 17.2200 -10.3600
44 O2b O 28.0700 -14.2800
45 P1b P 29.4700 -14.2800
46 O1c O 29.4700 -12.8800
47 O1c O 30.8700 -14.2800
48 O2c O 29.4700 -17.5000
49 C5a C 12.3900 -19.9500
50 C8y C 11.2700 -20.5800
51 O5a O 12.3900 -18.6900
52 C8y C 10.1500 -19.9500
53 C8x C 11.2700 -21.9100
54 C8x C 9.0300 -20.5800
55 N1b N 10.1500 -18.6900
56 C8x C 10.1500 -22.5400
57 C8x C 9.0300 -21.9100
58 C1a C 11.2700 -17.9900
BOND 61
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 1 49 1
52 49 50 1
53 49 51 2
54 50 52 1
55 50 53 2
56 52 54 2
57 52 55 1
58 53 56 1
59 54 57 1
60 56 57 2
61 55 58 1
|
|---|
|
» Japanese version
|
|