 | | COMPOUND: C16376 | |
| Entry |
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| Name |
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexaenoyl-CoA;
(6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosa-6,9,12,15,18,21-hexaenoyl-CoA
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| Formula |
C45H68N7O18P3S
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| Exact mass |
1119.3554
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| Mol weight |
1120.0438
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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
C16376 (6Z,9Z,12Z,15Z,18Z,21Z)-3-Oxotetracosahexaenoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 74
1 C1b C 29.6800 -21.0000
2 C5a C 28.4900 -20.3000
3 C1b C 27.2300 -21.0000
4 C1b C 26.0400 -20.3000
5 C2b C 24.8500 -21.0000
6 C2b C 23.4500 -21.0000
7 C1b C 22.2600 -20.3000
8 C2b C 21.0000 -21.0000
9 C2b C 19.6000 -21.0000
10 C1b C 18.4100 -20.3000
11 C2b C 17.1500 -21.0000
12 C2b C 15.7500 -21.0000
13 C1b C 14.4900 -20.3000
14 C2b C 13.3000 -21.0000
15 C2b C 11.9000 -21.0000
16 C1b C 10.7100 -20.3000
17 C2b C 9.4500 -21.0000
18 C2b C 8.0500 -21.0000
19 C1b C 6.7900 -20.3000
20 C2b C 5.6000 -21.0000
21 C2b C 4.2000 -21.0000
22 C1b C 2.9400 -20.3000
23 C1a C 1.7500 -21.0000
24 O5a O 28.4900 -18.9000
25 C5a C 30.9400 -20.3000
26 S2a S 32.1300 -21.0000
27 C1b C 33.3200 -20.3000
28 C1b C 34.5800 -21.0000
29 N1b N 35.7700 -20.3000
30 C5a C 36.9600 -21.0000
31 C1b C 38.2200 -20.3000
32 C1b C 39.4100 -21.0000
33 N1b N 40.6000 -20.3000
34 C5a C 41.8600 -21.0000
35 C1c C 43.0500 -20.3000
36 C1d C 44.2400 -21.0000
37 C1b C 45.4300 -20.3000
38 O2b O 46.6900 -21.0000
39 O5a O 30.9400 -18.9000
40 O5a O 36.9600 -22.4000
41 O5a O 41.8600 -22.4000
42 O1a O 43.0500 -18.9000
43 C1a C 44.2400 -19.6000
44 C1a C 44.2400 -22.4000
45 P1b P 48.0900 -21.0000
46 O1c O 49.4900 -21.0000
47 O1c O 48.0900 -22.4000
48 C1y C 41.5800 -16.0300
49 C1y C 42.9800 -16.0300
50 C1y C 43.4000 -14.7000
51 O2x O 42.2800 -13.8600
52 C1y C 41.1600 -14.7000
53 C1b C 44.7300 -14.2800
54 O1a O 40.7400 -17.1500
55 O2b O 43.8200 -17.1500
56 P1b P 45.2200 -17.1500
57 O1c O 45.2200 -15.7500
58 O1c O 46.6200 -17.1500
59 O1c O 45.2200 -18.5500
60 C8y C 37.0300 -12.8800
61 C8y C 37.0300 -14.2800
62 N4y N 39.4800 -14.2800
63 C8x C 39.4800 -12.8800
64 N5x N 38.2200 -12.1800
65 C8y C 35.8400 -12.1800
66 N5x N 34.5800 -12.8800
67 C8x C 34.5800 -14.2800
68 N5x N 35.8400 -14.9800
69 N1a N 35.8400 -10.7800
70 O2b O 46.6900 -14.7000
71 P1b P 48.0900 -14.7000
72 O1c O 48.0900 -13.3000
73 O1c O 49.4900 -14.7000
74 O2c O 48.0900 -17.9200
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 2
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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