 | | COMPOUND: C20842 | |
| Entry |
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| Name |
2-Hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
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| Formula |
C34H46N7O19P3S
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| Exact mass |
981.1782
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| Mol weight |
981.7508
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| Structure |
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| Reaction |
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| Pathway |
| map01059 | Biosynthesis of enediyne antibiotics |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00830 | Neocarzinostatin naphthoate moiety biosynthesis, malonyl-CoA => 2-hydroxy-5-methyl-1-naphthoate => 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 64
1 S2a S 15.4700 -20.5800
2 C1b C 16.6600 -19.8800
3 C1b C 17.9200 -20.5800
4 N1b N 19.1100 -19.8800
5 C5a C 20.3000 -20.5800
6 C1b C 21.5600 -19.8800
7 C1b C 22.7500 -20.5800
8 N1b N 23.9400 -19.8800
9 C5a C 25.2000 -20.5800
10 C1c C 26.3900 -19.8800
11 C1d C 27.5800 -20.5800
12 C1b C 28.7700 -19.8800
13 O2b O 30.0300 -20.5800
14 O5a O 20.3000 -21.9800
15 O5a O 25.2000 -21.9800
16 O1a O 26.3900 -18.4800
17 C1a C 27.5800 -19.1800
18 C1a C 27.5800 -21.9800
19 P1b P 31.4300 -20.5800
20 O1c O 32.8300 -20.5800
21 O1c O 31.4300 -21.9800
22 C1y C 24.9200 -15.6100
23 C1y C 26.3200 -15.6100
24 C1y C 26.7400 -14.2800
25 O2x O 25.6200 -13.4400
26 C1y C 24.5000 -14.2800
27 C1b C 28.0700 -13.8600
28 O1a O 24.0800 -16.7300
29 O2b O 27.1600 -16.7300
30 P1b P 28.5600 -16.7300
31 O1c O 28.5600 -15.3300
32 O1c O 29.9600 -16.7300
33 O1c O 28.5600 -18.1300
34 C8y C 20.3700 -12.4600
35 C8y C 20.3700 -13.8600
36 N4y N 22.8200 -13.8600
37 C8x C 22.8200 -12.4600
38 N5x N 21.5600 -11.7600
39 C8y C 19.1800 -11.7600
40 N5x N 17.9200 -12.4600
41 C8x C 17.9200 -13.8600
42 N5x N 19.1800 -14.5600
43 N1a N 19.1800 -10.3600
44 O2b O 30.0300 -14.2800
45 P1b P 31.4300 -14.2800
46 O1c O 31.4300 -12.8800
47 O1c O 32.8300 -14.2800
48 O2c O 31.4300 -17.5000
49 C8y C 13.0200 -23.3800
50 C8x C 13.0200 -24.7800
51 C8x C 14.2800 -25.4800
52 C8y C 15.4700 -24.7800
53 C8y C 15.4700 -23.3800
54 C8y C 14.2800 -22.6800
55 C8y C 16.6600 -25.4800
56 C8x C 17.9200 -24.7800
57 C8y C 17.9200 -23.3800
58 C8x C 16.6600 -22.6800
59 C5a C 14.2800 -21.2800
60 O5a O 13.0200 -20.5800
61 O1a O 11.8300 -22.6800
62 C1a C 16.6600 -26.8800
63 O2a O 19.1100 -22.7500
64 C1a C 20.3000 -23.3800
BOND 68
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 49 50 2
52 50 51 1
53 51 52 2
54 52 53 1
55 53 54 2
56 49 54 1
57 52 55 1
58 55 56 2
59 56 57 1
60 57 58 2
61 53 58 1
62 54 59 1
63 59 60 2
64 59 1 1
65 49 61 1
66 55 62 1
67 57 63 1
68 63 64 1
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