| Entry |
|
|---|
| Name |
6-Carboxyhex-2-enoyl-CoA;
2,3-Didehydro-pimeloyl-CoA
|
|---|
| Formula |
C28H44N7O19P3S
|
|---|
| Exact mass |
907.1626
|
|---|
| Mol weight |
907.6707
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C06723 6-Carboxyhex-2-enoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 58
1 C2b C 32.6200 -30.7300
2 C5a C 33.8800 -30.0300
3 S2a S 35.0700 -30.7300
4 C1b C 36.2600 -30.0300
5 C1b C 37.5200 -30.7300
6 N1b N 38.7100 -30.0300
7 C5a C 39.9000 -30.7300
8 C1b C 41.1600 -30.0300
9 C1b C 42.3500 -30.7300
10 N1b N 43.5400 -30.0300
11 C5a C 44.8000 -30.7300
12 C1c C 45.9900 -30.0300
13 C1d C 47.1800 -30.7300
14 C1b C 48.3700 -30.0300
15 O2b O 49.6300 -30.7300
16 O5a O 33.8800 -28.6300
17 O5a O 39.9000 -32.1300
18 O5a O 44.8000 -32.1300
19 O1a O 45.9900 -28.6300
20 C1a C 47.1800 -29.3300
21 C1a C 47.1800 -32.1300
22 P1b P 51.0300 -30.7300
23 O1c O 52.4300 -30.7300
24 O1c O 51.0300 -32.1300
25 C1y C 44.5200 -25.7600
26 C1y C 45.9200 -25.7600
27 C1y C 46.3400 -24.4300
28 O2x O 45.2200 -23.5900
29 C1y C 44.1000 -24.4300
30 C1b C 47.6700 -24.0100
31 O1a O 43.6800 -26.8800
32 O2b O 46.7600 -26.8800
33 P1b P 48.1600 -26.8800
34 O1c O 48.1600 -25.4800
35 O1c O 49.5600 -26.8800
36 O1c O 48.1600 -28.2800
37 C8y C 39.9700 -22.6100
38 C8y C 39.9700 -24.0100
39 N4y N 42.4200 -24.0100
40 C8x C 42.4200 -22.6100
41 N5x N 41.1600 -21.9100
42 C8y C 38.7800 -21.9100
43 N5x N 37.5200 -22.6100
44 C8x C 37.5200 -24.0100
45 N5x N 38.7800 -24.7100
46 N1a N 38.7800 -20.5100
47 O2b O 49.6300 -24.4300
48 P1b P 51.0300 -24.4300
49 O1c O 51.0300 -23.0300
50 O1c O 52.4300 -24.4300
51 O2c O 51.0300 -27.6500
52 C2b C 31.4300 -30.0300
53 C1b C 30.2400 -30.7300
54 C1b C 29.0500 -30.0300
55 C1b C 27.7900 -30.7300
56 C6a C 26.6000 -30.0300
57 O6a O 25.4100 -30.7300
58 O6a O 26.6000 -28.6300
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 2
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 56 58 2
|
|---|
