| Entry |
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| Name |
(3R,6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosa-6,9,12,15,18,21-hexaenoyl-CoA
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| Formula |
C45H70N7O18P3S
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| Exact mass |
1121.3711
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| Mol weight |
1122.06
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| Structure |
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| Reaction |
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| Pathway |
|
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| Module |
| M00861 | beta-Oxidation, peroxisome, VLCFA |
|
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16375 (3R,6Z,9Z,12Z,15Z,18Z,21Z)-3-Hydroxytetracosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 74
1 C1b C 28.2448 -20.3550
2 C1c C 27.1152 -19.6905
3 C1b C 25.9191 -20.3550
4 C1b C 24.7894 -19.6905
5 C2b C 23.6598 -20.3550
6 C2b C 22.3308 -20.3550
7 C1b C 21.2011 -19.6905
8 C2b C 20.0050 -20.3550
9 C2b C 18.6760 -20.3550
10 C1b C 17.5464 -19.6905
11 C2b C 16.3503 -20.3550
12 C2b C 15.0213 -20.3550
13 C1b C 13.8252 -19.6905
14 C2b C 12.6955 -20.3550
15 C2b C 11.3665 -20.3550
16 C1b C 10.2369 -19.6905
17 C2b C 9.0408 -20.3550
18 C2b C 7.7118 -20.3550
19 C1b C 6.5157 -19.6905
20 C2b C 5.3860 -20.3550
21 C2b C 4.0570 -20.3550
22 C1b C 2.8609 -19.6905
23 C1a C 1.7313 -20.3550
24 O1a O 27.1152 -18.3615
25 C5a C 29.4409 -19.6905
26 S2a S 30.5706 -20.3550
27 C1b C 31.7002 -19.6905
28 C1b C 32.8963 -20.3550
29 N1b N 34.0260 -19.6905
30 C5a C 35.1556 -20.3550
31 C1b C 36.3517 -19.6905
32 C1b C 37.4814 -20.3550
33 N1b N 38.6110 -19.6905
34 C5a C 39.8071 -20.3550
35 C1c C 40.9368 -19.6905
36 C1d C 42.0664 -20.3550
37 C1b C 43.1961 -19.6905
38 O2b O 44.3922 -20.3550
39 O5a O 29.4409 -18.3615
40 O5a O 35.1556 -21.6840
41 O5a O 39.8071 -21.6840
42 O1a O 40.9368 -18.3615
43 C1a C 42.0664 -19.0260
44 C1a C 42.0664 -21.6840
45 P1b P 45.7212 -20.3550
46 O1c O 47.0502 -20.3550
47 O1c O 45.7212 -21.6840
48 C1y C 39.5413 -15.6371
49 C1y C 40.8703 -15.6371
50 C1y C 41.2690 -14.3745
51 O2x O 40.2058 -13.5771
52 C1y C 39.1426 -14.3745
53 C1b C 42.5316 -13.9758
54 O1a O 38.7439 -16.7003
55 O2b O 41.6677 -16.7003
56 P1b P 42.9967 -16.7003
57 O1c O 42.9967 -15.3713
58 O1c O 44.3257 -16.7003
59 O1c O 42.9967 -18.0293
60 C8y C 35.2221 -12.6468
61 C8y C 35.2221 -13.9758
62 N4y N 37.5478 -13.9758
63 C8x C 37.5478 -12.6468
64 N5x N 36.3517 -11.9823
65 C8y C 34.0924 -11.9823
66 N5x N 32.8963 -12.6468
67 C8x C 32.8963 -13.9758
68 N5x N 34.0924 -14.6403
69 N1a N 34.0924 -10.6533
70 O2b O 44.3922 -14.3745
71 P1b P 45.7212 -14.3745
72 O1c O 45.7212 -13.0455
73 O1c O 47.0502 -14.3745
74 O2c O 45.7212 -17.4312
BOND 76
1 1 2 1
2 2 3 1
3 3 4 1
4 5 4 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 1
23 2 24 1 #Up
24 1 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 37 38 1
38 25 39 2
39 30 40 2
40 34 41 2
41 35 42 1 #Down
42 36 43 1
43 36 44 1
44 38 45 1
45 45 46 2
46 45 47 1
47 48 49 1
48 49 50 1
49 50 51 1
50 51 52 1
51 48 52 1
52 50 53 1 #Down
53 48 54 1 #Up
54 49 55 1 #Up
55 55 56 1
56 56 57 1
57 56 58 1
58 56 59 2
59 60 61 2
60 61 62 1
61 62 63 1
62 63 64 2
63 60 64 1
64 60 65 1
65 65 66 2
66 66 67 1
67 67 68 2
68 61 68 1
69 65 69 1
70 52 62 1 #Down
71 53 70 1
72 70 71 1
73 71 72 1
74 71 73 2
75 71 74 1
76 45 74 1
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