| Entry |
|
|---|
| Name |
Tetracosanoyl-CoA;
Lignoceroyl-CoA
|
|---|
| Formula |
C45H82N7O17P3S
|
|---|
| Exact mass |
1117.4701
|
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| Mol weight |
1118.16
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Enzyme |
3.1.2.-
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16529 Tetracosanoyl-CoA
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 73
1 C1b C 27.8600 -21.0000
2 C1b C 26.6700 -20.3000
3 C1b C 25.5500 -21.0000
4 C1b C 24.2900 -20.3000
5 C1b C 23.1000 -21.0000
6 C1b C 21.9800 -20.3000
7 C1b C 20.7200 -21.0000
8 C1b C 19.5300 -20.3000
9 C1b C 18.3400 -21.0000
10 C1b C 17.1500 -20.3000
11 C1b C 15.9600 -21.0000
12 C1b C 14.7700 -20.3000
13 C1b C 13.6500 -21.0000
14 C1b C 12.3900 -20.3000
15 C1b C 11.2000 -21.0000
16 C1b C 10.0800 -20.3000
17 C1b C 8.8200 -21.0000
18 C1b C 7.6300 -20.3000
19 C1b C 6.4400 -21.0000
20 C1b C 5.3200 -20.3000
21 C1b C 4.1300 -21.0000
22 C1b C 2.9400 -20.3000
23 C1a C 1.7500 -21.0000
24 C5a C 29.1200 -20.3000
25 S2a S 30.3100 -21.0000
26 C1b C 31.5000 -20.3000
27 C1b C 32.7600 -21.0000
28 N1b N 33.9500 -20.3000
29 C5a C 35.1400 -21.0000
30 C1b C 36.4000 -20.3000
31 C1b C 37.5900 -21.0000
32 N1b N 38.7800 -20.3000
33 C5a C 40.0400 -21.0000
34 C1c C 41.2300 -20.3000
35 C1d C 42.4200 -21.0000
36 C1b C 43.6100 -20.3000
37 O2b O 44.8700 -21.0000
38 O5a O 29.1200 -18.9000
39 O5a O 35.1400 -22.4000
40 O5a O 40.0400 -22.4000
41 O1a O 41.2300 -18.9000
42 C1a C 42.4200 -19.6000
43 C1a C 42.4200 -22.4000
44 P1b P 46.2700 -21.0000
45 O1c O 47.6700 -21.0000
46 O1c O 46.2700 -22.4000
47 C1y C 39.7600 -16.0300
48 C1y C 41.1600 -16.0300
49 C1y C 41.5800 -14.7000
50 O2x O 40.4600 -13.8600
51 C1y C 39.3400 -14.7000
52 C1b C 42.9100 -14.2800
53 O1a O 38.9200 -17.1500
54 O2b O 42.0000 -17.1500
55 P1b P 43.4000 -17.1500
56 O1c O 43.4000 -15.7500
57 O1c O 44.8000 -17.1500
58 O1c O 43.4000 -18.5500
59 C8y C 35.2100 -12.8800
60 C8y C 35.2100 -14.2800
61 N4y N 37.6600 -14.2800
62 C8x C 37.6600 -12.8800
63 N5x N 36.4000 -12.1800
64 C8y C 34.0200 -12.1800
65 N5x N 32.7600 -12.8800
66 C8x C 32.7600 -14.2800
67 N5x N 34.0200 -14.9800
68 N1a N 34.0200 -10.7800
69 O2b O 44.8700 -14.7000
70 P1b P 46.2700 -14.7000
71 O1c O 46.2700 -13.3000
72 O1c O 47.6700 -14.7000
73 O2c O 46.2700 -17.9200
BOND 75
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
|
|---|
