| Entry |
|
|---|
| Name |
Stearoyl-CoA;
Stearyl-CoA;
Stearyl coenzyme A;
Octadecanoyl-CoA
|
|---|
| Formula |
C39H70N7O17P3S
|
|---|
| Exact mass |
1033.3762
|
|---|
| Mol weight |
1033.9961
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C00412 Octadecanoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 67
1 C1b C 39.7600 -35.4900
2 C5a C 41.0200 -34.7900
3 S2a S 42.2100 -35.4900
4 C1b C 43.4000 -34.7900
5 C1b C 44.6600 -35.4900
6 N1b N 45.8500 -34.7900
7 C5a C 47.0400 -35.4900
8 C1b C 48.3000 -34.7900
9 C1b C 49.4900 -35.4900
10 N1b N 50.6800 -34.7900
11 C5a C 51.9400 -35.4900
12 C1c C 53.1300 -34.7900
13 C1d C 54.3200 -35.4900
14 C1b C 55.5100 -34.7900
15 O2b O 56.7700 -35.4900
16 O5a O 41.0200 -33.3900
17 O5a O 47.0400 -36.8900
18 O5a O 51.9400 -36.8900
19 O1a O 53.1300 -33.3900
20 C1a C 54.3200 -34.0900
21 C1a C 54.3200 -36.8900
22 P1b P 58.1700 -35.4900
23 O1c O 59.5700 -35.4900
24 O1c O 58.1700 -36.8900
25 C1y C 51.6600 -30.5200
26 C1y C 53.0600 -30.5200
27 C1y C 53.4800 -29.1900
28 O2x O 52.3600 -28.3500
29 C1y C 51.2400 -29.1900
30 C1b C 54.8100 -28.7700
31 O1a O 50.8200 -31.6400
32 O2b O 53.9000 -31.6400
33 P1b P 55.3000 -31.6400
34 O1c O 55.3000 -30.2400
35 O1c O 56.7000 -31.6400
36 O1c O 55.3000 -33.0400
37 C8y C 47.1100 -27.3700
38 C8y C 47.1100 -28.7700
39 N4y N 49.5600 -28.7700
40 C8x C 49.5600 -27.3700
41 N5x N 48.3000 -26.6700
42 C8y C 45.9200 -26.6700
43 N5x N 44.6600 -27.3700
44 C8x C 44.6600 -28.7700
45 N5x N 45.9200 -29.4700
46 N1a N 45.9200 -25.2700
47 O2b O 56.7700 -29.1900
48 P1b P 58.1700 -29.1900
49 O1c O 58.1700 -27.7900
50 O1c O 59.5700 -29.1900
51 O2c O 58.1700 -32.4100
52 C1b C 38.6400 -34.7900
53 C1b C 37.4500 -35.4900
54 C1b C 36.2600 -34.7900
55 C1b C 35.0700 -35.4900
56 C1b C 33.8800 -34.7900
57 C1b C 32.6900 -35.4900
58 C1b C 31.5000 -34.7900
59 C1b C 30.3100 -35.4900
60 C1b C 29.1200 -34.7900
61 C1b C 27.9300 -35.4900
62 C1b C 26.7400 -34.7900
63 C1b C 25.5500 -35.4900
64 C1b C 24.3600 -34.7900
65 C1b C 23.1700 -35.4900
66 C1b C 21.9800 -34.7900
67 C1a C 20.7900 -35.4900
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 1
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
|
|---|
