 | | COMPOUND: C15547 | |
| Entry |
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| Name |
1,4-Dihydroxy-2-naphthoyl-CoA
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| Formula |
C32H42N7O19P3S
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| Exact mass |
953.1469
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| Mol weight |
953.70
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| Structure |
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| Reaction |
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| Pathway |
| map00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00116 | Menaquinone biosynthesis, chorismate (+ polyprenyl-PP) => menaquinol |
| M00932 | Phylloquinone biosynthesis, chorismate (+ phytyl-PP) => phylloquinol |
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| Enzyme |
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| Other DBs |
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| KCF data |
ATOM 62
1 S2a S 15.0500 -20.5800
2 C1b C 16.2400 -19.8800
3 C1b C 17.5000 -20.5800
4 N1b N 18.6900 -19.8800
5 C5a C 19.8800 -20.5800
6 C1b C 21.1400 -19.8800
7 C1b C 22.3300 -20.5800
8 N1b N 23.5200 -19.8800
9 C5a C 24.7800 -20.5800
10 C1c C 25.9700 -19.8800
11 C1d C 27.1600 -20.5800
12 C1b C 28.3500 -19.8800
13 O2b O 29.6100 -20.5800
14 O5a O 19.8800 -21.9800
15 O5a O 24.7800 -21.9800
16 O1a O 25.9700 -18.4800
17 C1a C 27.1600 -19.1800
18 C1a C 27.1600 -21.9800
19 P1b P 31.0100 -20.5800
20 O1c O 32.4100 -20.5800
21 O1c O 31.0100 -21.9800
22 C1y C 24.5000 -15.6100
23 C1y C 25.9000 -15.6100
24 C1y C 26.3200 -14.2800
25 O2x O 25.2000 -13.4400
26 C1y C 24.0800 -14.2800
27 C1b C 27.6500 -13.8600
28 O1a O 23.6600 -16.7300
29 O2b O 26.7400 -16.7300
30 P1b P 28.1400 -16.7300
31 O1c O 28.1400 -15.3300
32 O1c O 29.5400 -16.7300
33 O1c O 28.1400 -18.1300
34 C8y C 19.9500 -12.4600
35 C8y C 19.9500 -13.8600
36 N4y N 22.4000 -13.8600
37 C8x C 22.4000 -12.4600
38 N5x N 21.1400 -11.7600
39 C8y C 18.7600 -11.7600
40 N5x N 17.5000 -12.4600
41 C8x C 17.5000 -13.8600
42 N5x N 18.7600 -14.5600
43 N1a N 18.7600 -10.3600
44 O2b O 29.6100 -14.2800
45 P1b P 31.0100 -14.2800
46 O1c O 31.0100 -12.8800
47 O1c O 32.4100 -14.2800
48 O2c O 31.0100 -17.5000
49 C8y C 10.0800 -20.5800
50 C8y C 10.0800 -21.9800
51 C8y C 11.2700 -19.8800
52 C8x C 8.8900 -19.8800
53 C8y C 11.3400 -22.6800
54 C8x C 8.8900 -22.6800
55 C8y C 12.5300 -20.5800
56 O1a O 11.2700 -18.4800
57 C8x C 7.7000 -20.5800
58 C8x C 12.5300 -21.9800
59 O1a O 11.3400 -24.0800
60 C8x C 7.7000 -21.9800
61 C5a C 13.7200 -19.8800
62 O5a O 13.7200 -18.4800
BOND 66
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 1
52 49 51 2
53 49 52 1
54 50 53 2
55 50 54 1
56 51 55 1
57 51 56 1
58 52 57 2
59 53 58 1
60 53 59 1
61 54 60 2
62 55 61 1
63 61 62 2
64 55 58 2
65 57 60 1
66 1 61 1
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