| Entry |
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| Name |
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| Formula |
C27H44N7O20P3S
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| Exact mass |
911.1575
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| Mol weight |
911.6594
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| Structure |
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| Reaction |
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
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| Module |
| M00878 | Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C14145 (3S)-3-Hydroxyadipyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 58
1 S2a S 15.6100 -20.5800
2 C1b C 16.8000 -19.8800
3 C1b C 18.0600 -20.5800
4 N1b N 19.2500 -19.8800
5 C5a C 20.4400 -20.5800
6 C1b C 21.7000 -19.8800
7 C1b C 22.8900 -20.5800
8 N1b N 24.0800 -19.8800
9 C5a C 25.3400 -20.5800
10 C1c C 26.5300 -19.8800
11 C1d C 27.7200 -20.5800
12 C1b C 28.9100 -19.8800
13 O2b O 30.1700 -20.5800
14 O5a O 20.4400 -21.9800
15 O5a O 25.3400 -21.9800
16 O1a O 26.5300 -18.4800
17 C1a C 27.7200 -19.1800
18 C1a C 27.7200 -21.9800
19 P1b P 31.5700 -20.5800
20 O1c O 32.9700 -20.5800
21 O1c O 31.5700 -21.9800
22 C1y C 25.0600 -15.6100
23 C1y C 26.4600 -15.6100
24 C1y C 26.8800 -14.2800
25 O2x O 25.7600 -13.4400
26 C1y C 24.6400 -14.2800
27 C1b C 28.2100 -13.8600
28 O1a O 24.2200 -16.7300
29 O2b O 27.3000 -16.7300
30 P1b P 28.7000 -16.7300
31 O1c O 28.7000 -15.3300
32 O1c O 30.1000 -16.7300
33 O1c O 28.7000 -18.1300
34 C8y C 20.5100 -12.4600
35 C8y C 20.5100 -13.8600
36 N4y N 22.9600 -13.8600
37 C8x C 22.9600 -12.4600
38 N5x N 21.7000 -11.7600
39 C8y C 19.3200 -11.7600
40 N5x N 18.0600 -12.4600
41 C8x C 18.0600 -13.8600
42 N5x N 19.3200 -14.5600
43 N1a N 19.3200 -10.3600
44 O2b O 30.1700 -14.2800
45 P1b P 31.5700 -14.2800
46 O1c O 31.5700 -12.8800
47 O1c O 32.9700 -14.2800
48 O2c O 31.5700 -17.5000
49 C5a C 14.3500 -19.8800
50 C1b C 13.2300 -20.5800
51 C1c C 11.9700 -19.8800
52 C1b C 10.7100 -20.5800
53 C1b C 9.4500 -19.8800
54 C6a C 8.3300 -20.5800
55 O6a O 7.1400 -19.8800
56 O5a O 14.3500 -18.4800
57 O6a O 8.3300 -21.9800
58 O1a O 11.9700 -18.4800
BOND 60
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 50 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 49 56 2
59 54 57 2
60 51 58 1 #Down
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