| Entry |
|
|---|
| Name |
Oleoyl-CoA;
(9Z)-Octadecenoyl-CoA
|
|---|
| Formula |
C39H68N7O17P3S
|
|---|
| Exact mass |
1031.3605
|
|---|
| Mol weight |
1031.9802
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00510 (9Z)-Octadecenoyl-CoA
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 67
1 C1b C 39.9000 -26.2500
2 C5a C 41.1600 -25.5500
3 S2a S 42.3500 -26.2500
4 C1b C 43.5400 -25.5500
5 C1b C 44.8000 -26.2500
6 N1b N 45.9900 -25.5500
7 C5a C 47.1800 -26.2500
8 C1b C 48.4400 -25.5500
9 C1b C 49.6300 -26.2500
10 N1b N 50.8200 -25.5500
11 C5a C 52.0800 -26.2500
12 C1c C 53.2700 -25.5500
13 C1d C 54.4600 -26.2500
14 C1b C 55.6500 -25.5500
15 O2b O 56.9100 -26.2500
16 O5a O 41.1600 -24.1500
17 O5a O 47.1800 -27.6500
18 O5a O 52.0800 -27.6500
19 O1a O 53.2700 -24.1500
20 C1a C 54.4600 -24.8500
21 C1a C 54.4600 -27.6500
22 P1b P 58.3100 -26.2500
23 O1c O 59.7100 -26.2500
24 O1c O 58.3100 -27.6500
25 C1y C 51.8000 -21.2800
26 C1y C 53.2000 -21.2800
27 C1y C 53.6200 -19.9500
28 O2x O 52.5000 -19.1100
29 C1y C 51.3800 -19.9500
30 C1b C 54.9500 -19.5300
31 O1a O 50.9600 -22.4000
32 O2b O 54.0400 -22.4000
33 P1b P 55.4400 -22.4000
34 O1c O 55.4400 -21.0000
35 O1c O 56.8400 -22.4000
36 O1c O 55.4400 -23.8000
37 C8y C 47.2500 -18.1300
38 C8y C 47.2500 -19.5300
39 N4y N 49.7000 -19.5300
40 C8x C 49.7000 -18.1300
41 N5x N 48.4400 -17.4300
42 C8y C 46.0600 -17.4300
43 N5x N 44.8000 -18.1300
44 C8x C 44.8000 -19.5300
45 N5x N 46.0600 -20.2300
46 N1a N 46.0600 -16.0300
47 O2b O 56.9100 -19.9500
48 P1b P 58.3100 -19.9500
49 O1c O 58.3100 -18.5500
50 O1c O 59.7100 -19.9500
51 O2c O 58.3100 -23.1700
52 C1b C 38.7800 -25.6200
53 C1b C 37.5900 -26.3200
54 C1b C 36.4000 -25.6200
55 C1b C 35.2100 -26.3200
56 C1b C 34.0200 -25.6200
57 C1b C 32.8300 -26.3200
58 C2b C 31.5700 -25.6200
59 C2b C 30.2400 -25.6200
60 C1b C 28.9800 -26.2500
61 C1b C 27.7900 -25.5500
62 C1b C 26.6000 -26.2500
63 C1b C 25.4100 -25.6200
64 C1b C 24.2200 -26.2500
65 C1b C 23.1000 -25.6200
66 C1b C 21.9100 -26.2500
67 C1a C 20.7200 -25.6200
BOND 69
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 57 58 1
61 58 59 2
62 59 60 1
63 60 61 1
64 61 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
|
|---|
