| Entry |
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| Name |
Pimeloyl-CoA;
6-Carboxyhexanoyl-CoA
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| Formula |
C28H46N7O19P3S
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| Exact mass |
909.1782
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| Mol weight |
909.69
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| Structure |
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| Reaction |
|
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
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| Module |
| M00123 | Biotin biosynthesis, pimeloyl-ACP/CoA => biotin |
| M00540 | Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA |
| M00577 | Biotin biosynthesis, BioW pathway, pimelate => pimeloyl-CoA => biotin |
| M00950 | Biotin biosynthesis, BioU pathway, pimeloyl-ACP/CoA => biotin |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C01063 Pimeloyl-CoA
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| Other DBs |
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| KCF data |
ATOM 58
1 C1b C 32.5724 -26.1800
2 C5a C 33.7849 -25.4800
3 S2a S 34.9973 -26.1800
4 C1b C 36.2097 -25.4800
5 C1b C 37.4222 -26.1800
6 N1b N 38.6346 -25.4800
7 C5a C 39.8470 -26.1800
8 C1b C 41.0595 -25.4800
9 C1b C 42.2719 -26.1800
10 N1b N 43.4844 -25.4800
11 C5a C 44.6968 -26.1800
12 C1c C 45.9092 -25.4800
13 C1d C 47.1217 -26.1800
14 C1b C 48.3341 -25.4800
15 O2b O 49.5465 -26.1800
16 O5a O 33.7849 -24.0802
17 O5a O 39.8470 -27.5799
18 O5a O 44.6968 -27.5796
19 O1a O 45.9092 -24.0800
20 C1a C 47.1217 -24.7800
21 C1a C 47.1217 -27.5800
22 P1b P 50.9465 -26.1800
23 O1c O 52.3465 -26.1800
24 O1c O 50.9465 -27.5800
25 C1y C 44.4500 -21.2100
26 C1y C 45.8500 -21.2100
27 C1y C 46.2826 -19.8785
28 O2x O 45.1500 -19.0556
29 C1y C 44.0174 -19.8785
30 C1b C 47.6022 -19.4497
31 O1a O 43.6271 -22.3426
32 O2b O 46.6729 -22.3426
33 P1b P 48.0729 -22.3426
34 O1c O 48.0729 -20.9426
35 O1c O 49.4729 -22.3426
36 O1c O 48.0729 -23.7426
37 C8y C 39.9000 -18.0600
38 C8y C 39.9000 -19.4600
39 N4y N 42.3249 -19.4600
40 C8x C 42.3249 -18.0600
41 N5x N 41.1124 -17.3600
42 C8y C 38.6876 -17.3600
43 N5x N 37.4751 -18.0600
44 C8x C 37.4751 -19.4600
45 N5x N 38.6876 -20.1600
46 N1a N 38.6876 -15.9602
47 O2b O 49.5845 -19.8820
48 P1b P 50.9845 -19.8820
49 O1c O 50.9845 -18.4820
50 O1c O 52.3845 -19.8820
51 O2c O 50.9845 -23.1020
52 C1b C 31.3433 -25.4702
53 C1b C 30.1392 -26.1653
54 C1b C 28.9563 -25.4822
55 C1b C 27.7626 -26.1714
56 C6a C 26.5745 -25.4853
57 O6a O 25.3835 -26.1730
58 O6a O 26.5745 -24.0802
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 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 56 58 2
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