| Entry |
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| Name |
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| Formula |
C27H42N7O22P3S
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| Exact mass |
941.1316
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| Mol weight |
941.64
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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 |
| M00173 | Reductive citrate cycle (Arnon-Buchanan cycle) |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00566 (3S)-Citryl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 60
1 C1b C 30.2400 -35.6300
2 C5a C 31.5000 -34.9300
3 S2a S 32.6900 -35.6300
4 C1b C 33.8800 -34.9300
5 C1b C 35.1400 -35.6300
6 N1b N 36.3300 -34.9300
7 C5a C 37.5200 -35.6300
8 C1b C 38.7800 -34.9300
9 C1b C 39.9700 -35.6300
10 N1b N 41.1600 -34.9300
11 C5a C 42.4200 -35.6300
12 C1c C 43.6100 -34.9300
13 C1d C 44.8000 -35.6300
14 C1b C 45.9900 -34.9300
15 O2b O 47.2500 -35.6300
16 O5a O 31.5000 -33.5300
17 O5a O 37.5200 -37.0300
18 O5a O 42.4200 -37.0300
19 O1a O 43.6100 -33.5300
20 C1a C 44.8000 -34.2300
21 C1a C 44.8000 -37.0300
22 P1b P 48.6500 -35.6300
23 O1c O 50.0500 -35.6300
24 O1c O 48.6500 -37.0300
25 C1y C 42.1400 -30.6600
26 C1y C 43.5400 -30.6600
27 C1y C 43.9600 -29.3300
28 O2x O 42.8400 -28.4900
29 C1y C 41.7200 -29.3300
30 C1b C 45.2900 -28.9100
31 O1a O 41.3000 -31.7800
32 O2b O 44.3800 -31.7800
33 P1b P 45.7800 -31.7800
34 O1c O 45.7800 -30.3800
35 O1c O 47.1800 -31.7800
36 O1c O 45.7800 -33.1800
37 C8y C 37.5900 -27.5100
38 C8y C 37.5900 -28.9100
39 N4y N 40.0400 -28.9100
40 C8x C 40.0400 -27.5100
41 N5x N 38.7800 -26.8100
42 C8y C 36.4000 -26.8100
43 N5x N 35.1400 -27.5100
44 C8x C 35.1400 -28.9100
45 N5x N 36.4000 -29.6100
46 N1a N 36.4000 -25.4100
47 O2b O 47.2500 -29.3300
48 P1b P 48.6500 -29.3300
49 O1c O 48.6500 -27.9300
50 O1c O 50.0500 -29.3300
51 O2c O 48.6500 -32.5500
52 C1d C 29.1200 -35.0000
53 C1b C 28.2100 -36.0500
54 C6a C 28.0000 -34.3700
55 O1a O 29.7500 -33.5300
56 C6a C 28.2100 -37.2400
57 O6a O 26.8800 -35.0000
58 O6a O 28.0000 -33.0400
59 O6a O 27.0200 -37.9400
60 O6a O 29.4000 -37.9400
BOND 62
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 1
55 52 53 1 #Up
56 52 54 1
57 52 55 1 #Down
58 53 56 1
59 54 57 1
60 54 58 2
61 56 59 1
62 56 60 2
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