| Entry |
|
|---|
| Name |
Cerotoyl-CoA;
Hexacosanoyl-CoA
|
|---|
| Formula |
C47H86N7O17P3S
|
|---|
| Exact mass |
1145.5014
|
|---|
| Mol weight |
1146.21
|
|---|
| Structure |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C21932 Hexacosanoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 75
1 C1b C 36.7228 -19.9597
2 C1b C 35.5878 -19.2921
3 C1b C 34.5195 -19.9597
4 C1b C 33.3177 -19.2921
5 C1b C 32.1827 -19.9597
6 C1b C 31.1145 -19.2921
7 C1b C 29.9127 -19.9597
8 C1b C 28.7777 -19.2921
9 C1b C 27.6426 -19.9597
10 C1b C 26.5076 -19.2921
11 C1b C 25.3726 -19.9597
12 C1b C 24.2376 -19.2921
13 C1b C 23.1693 -19.9597
14 C1b C 21.9676 -19.2921
15 C1b C 20.8325 -19.9597
16 C1b C 19.7643 -19.2921
17 C1b C 18.5625 -19.9597
18 C1b C 17.4275 -19.2921
19 C1b C 16.2925 -19.9597
20 C1b C 15.2242 -19.2921
21 C1b C 14.0892 -19.9597
22 C1b C 12.9542 -19.2921
23 C1b C 11.8191 -19.9597
24 C5a C 37.9246 -19.2921
25 S2a S 39.0596 -19.9597
26 C1b C 40.1946 -19.2921
27 C1b C 41.3964 -19.9597
28 N1b N 42.5314 -19.2921
29 C5a C 43.6664 -19.9597
30 C1b C 44.8682 -19.2921
31 C1b C 46.0032 -19.9597
32 N1b N 47.1383 -19.2921
33 C5a C 48.3401 -19.9597
34 C1c C 49.4751 -19.2921
35 C1d C 50.6101 -19.9597
36 C1b C 51.7451 -19.2921
37 O2b O 52.9469 -19.9597
38 O5a O 37.9246 -17.9568
39 O5a O 43.6664 -21.2951
40 O5a O 48.3401 -21.2951
41 O1a O 49.4751 -17.9568
42 C1a C 50.6101 -18.6244
43 C1a C 50.6101 -21.2951
44 P1b P 54.2822 -19.9597
45 O1c O 55.6175 -19.9597
46 O1c O 54.2822 -21.2951
47 C1y C 48.0730 -15.2194
48 C1y C 49.4083 -15.2194
49 C1y C 49.8089 -13.9508
50 O2x O 48.7406 -13.1496
51 C1y C 47.6724 -13.9508
52 C1b C 51.0775 -13.5502
53 O1a O 47.2718 -16.2876
54 O2b O 50.2095 -16.2876
55 P1b P 51.5448 -16.2876
56 O1c O 51.5448 -14.9523
57 O1c O 52.8801 -16.2876
58 O1c O 51.5448 -17.6229
59 C8y C 43.7332 -12.2149
60 C8y C 43.7332 -13.5502
61 N4y N 46.0700 -13.5502
62 C8x C 46.0700 -12.2149
63 N5x N 44.8682 -11.5473
64 C8y C 42.5982 -11.5473
65 N5x N 41.3964 -12.2149
66 C8x C 41.3964 -13.5502
67 N5x N 42.5982 -14.2179
68 N1a N 42.5982 -10.2119
69 O2b O 52.9469 -13.9508
70 P1b P 54.2822 -13.9508
71 O1c O 54.2822 -12.6155
72 O1c O 55.6175 -13.9508
73 O2c O 54.2822 -17.0221
74 C1b C 10.6176 -19.2500
75 C1a C 9.4051 -19.9500
BOND 77
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 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 1 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 37 1
37 24 38 2
38 29 39 2
39 33 40 2
40 34 41 1 #Down
41 35 42 1
42 35 43 1
43 37 44 1
44 44 45 2
45 44 46 1
46 47 48 1
47 48 49 1
48 49 50 1
49 50 51 1
50 47 51 1
51 49 52 1 #Down
52 47 53 1 #Up
53 48 54 1 #Up
54 54 55 1
55 55 56 1
56 55 57 1
57 55 58 2
58 59 60 2
59 60 61 1
60 61 62 1
61 62 63 2
62 59 63 1
63 59 64 1
64 64 65 2
65 65 66 1
66 66 67 2
67 60 67 1
68 64 68 1
69 51 61 1 #Down
70 52 69 1
71 69 70 1
72 70 71 1
73 70 72 2
74 70 73 1
75 44 73 1
76 23 74 1
77 74 75 1
|
|---|
