| Entry |
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|---|
| Name |
3-Oxoadipyl-CoA;
beta-Ketoadipyl-CoA
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|---|
| Formula |
C27H42N7O20P3S
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| Exact mass |
909.1418
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| Mol weight |
909.6436
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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 |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02232 3-Oxoadipyl-CoA
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| Other DBs |
|
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| KCF data |
ATOM 58
1 C1b C 31.2900 -33.1100
2 C5a C 32.5500 -32.4100
3 S2a S 33.7400 -33.1100
4 C1b C 34.9300 -32.4100
5 C1b C 36.1900 -33.1100
6 N1b N 37.3800 -32.4100
7 C5a C 38.5700 -33.1100
8 C1b C 39.8300 -32.4100
9 C1b C 41.0200 -33.1100
10 N1b N 42.2100 -32.4100
11 C5a C 43.4700 -33.1100
12 C1c C 44.6600 -32.4100
13 C1d C 45.8500 -33.1100
14 C1b C 47.0400 -32.4100
15 O2b O 48.3000 -33.1100
16 O5a O 32.5500 -31.0800
17 O5a O 38.5700 -34.5100
18 O5a O 43.4700 -34.5100
19 O1a O 44.6600 -31.0100
20 C1a C 45.8500 -31.7100
21 C1a C 45.8500 -34.5100
22 P1b P 49.7000 -33.1100
23 O1c O 51.1000 -33.1100
24 O1c O 49.7000 -34.5100
25 C1y C 43.1900 -28.1400
26 C1y C 44.5900 -28.1400
27 C1y C 45.0100 -26.8100
28 O2x O 43.8900 -25.9700
29 C1y C 42.7700 -26.8100
30 C1b C 46.3400 -26.3900
31 O1a O 42.3500 -29.2600
32 O2b O 45.4300 -29.2600
33 P1b P 46.8300 -29.2600
34 O1c O 46.8300 -27.8600
35 O1c O 48.2300 -29.2600
36 O1c O 46.8300 -30.6600
37 C8y C 38.6400 -24.9900
38 C8y C 38.6400 -26.3900
39 N4y N 41.0900 -26.3900
40 C8x C 41.0900 -24.9900
41 N5x N 39.8300 -24.2900
42 C8y C 37.4500 -24.2900
43 N5x N 36.1900 -24.9900
44 C8x C 36.1900 -26.3900
45 N5x N 37.4500 -27.0900
46 N1a N 37.4500 -22.8900
47 O2b O 48.3000 -26.8100
48 P1b P 49.7000 -26.8100
49 O1c O 49.7000 -25.4100
50 O1c O 51.1000 -26.8100
51 O2c O 49.7000 -30.0300
52 C5a C 30.1700 -32.4800
53 C1b C 29.0500 -33.1100
54 O5a O 30.1700 -31.1500
55 C1b C 27.9300 -32.4800
56 C6a C 26.8100 -33.1100
57 O6a O 26.8100 -34.3700
58 O6a O 25.6900 -32.4800
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 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
56 52 54 2
57 53 55 1
58 55 56 1
59 56 57 2
60 56 58 1
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