Entry |
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Name |
(11Z,14Z,17Z,20Z,23Z)-Hexacosapentaenoyl-CoA
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Formula |
C47H76N7O17P3S
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Exact mass |
1135.4231
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Mol weight |
1136.13
|
Structure |
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Pathway |
map01040 | Biosynthesis of unsaturated fatty acids |
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Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C21949 (11Z,14Z,17Z,20Z,23Z)-Hexacosapentaenoyl-CoA
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Other DBs |
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LinkDB |
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KCF data |
ATOM 75
1 S2a S 32.5074 -20.4078
2 C1b C 33.6416 -19.7406
3 C1b C 34.8425 -20.4078
4 N1b N 35.9766 -19.7406
5 C5a C 37.1108 -20.4078
6 C1b C 38.3117 -19.7406
7 C1b C 39.4459 -20.4078
8 N1b N 40.5801 -19.7406
9 C5a C 41.7810 -20.4078
10 C1c C 42.9152 -19.7406
11 C1d C 44.0494 -20.4078
12 C1b C 45.1836 -19.7406
13 O2b O 46.3845 -20.4078
14 O5a O 37.1108 -21.7421
15 O5a O 41.7810 -21.7421
16 O1a O 42.9152 -18.4063
17 C1a C 44.0494 -19.0734
18 C1a C 44.0494 -21.7421
19 P1b P 47.7188 -20.4078
20 O1c O 49.0532 -20.4078
21 O1c O 47.7188 -21.7421
22 C1y C 41.5142 -15.6709
23 C1y C 42.8485 -15.6709
24 C1y C 43.2488 -14.4032
25 O2x O 42.1813 -13.6026
26 C1y C 41.1139 -14.4032
27 C1b C 44.5164 -14.0029
28 O1a O 40.7136 -16.7383
29 O2b O 43.6491 -16.7383
30 P1b P 44.9834 -16.7383
31 O1c O 44.9834 -15.4040
32 O1c O 46.3178 -16.7383
33 O1c O 44.9834 -18.0727
34 C8y C 37.1776 -12.6686
35 C8y C 37.1776 -14.0029
36 N4y N 39.5126 -14.0029
37 C8x C 39.5126 -12.6686
38 N5x N 38.3117 -12.0014
39 C8y C 36.0434 -12.0014
40 N5x N 34.8425 -12.6686
41 C8x C 34.8425 -14.0029
42 N5x N 36.0434 -14.6701
43 N1a N 36.0434 -10.6671
44 O2b O 46.3845 -14.4032
45 P1b P 47.7188 -14.4032
46 O1c O 47.7188 -13.0689
47 O1c O 49.0532 -14.4032
48 O2c O 47.7188 -17.4722
49 C5a C 31.4399 -19.7406
50 O5a O 31.4399 -18.4730
51 C1b C 30.3057 -20.4078
52 C1b C 29.1715 -19.7406
53 C1b C 27.9706 -20.4078
54 C1b C 26.8364 -19.7406
55 C1b C 25.7022 -20.4078
56 C1b C 24.5013 -19.7406
57 C1b C 23.3671 -20.4078
58 C1b C 22.2329 -19.7406
59 C1b C 21.0988 -20.4078
60 C2b C 19.9646 -19.7406
61 C2b C 18.6302 -19.7406
62 C1b C 17.4960 -20.4078
63 C2b C 16.2951 -19.7406
64 C2b C 14.9608 -19.7406
65 C1b C 13.8266 -20.4078
66 C2b C 12.6924 -19.7406
67 C2b C 11.3581 -19.7406
68 C1b C 10.1572 -20.4078
69 C2b C 9.0230 -19.7406
70 C2b C 7.7554 -19.7406
71 C1b C 6.5545 -20.4078
72 C2b C 5.4203 -19.7406
73 C2b C 4.0859 -19.7406
74 C1b C 2.8850 -20.4078
75 C1a C 1.7508 -19.7406
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 2
53 49 51 1
54 51 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 2
64 61 62 1
65 62 63 1
66 63 64 2
67 64 65 1
68 65 66 1
69 66 67 2
70 67 68 1
71 68 69 1
72 69 70 2
73 70 71 1
74 71 72 1
75 72 73 2
76 73 74 1
77 74 75 1
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