| Entry |
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| Name |
cis,cis-3,6-Dodecadienoyl-CoA;
(3Z,6Z)-Dodecadienoyl-CoA
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| Formula |
C33H54N7O17P3S
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| Exact mass |
945.2510
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| Mol weight |
945.81
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| Structure |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C05280 (3Z,6Z)-Dodecadienoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 61
1 S2a S 17.3600 -20.5800
2 C1b C 18.5500 -19.8800
3 C1b C 19.8100 -20.5800
4 N1b N 21.0000 -19.8800
5 C5a C 22.1900 -20.5800
6 C1b C 23.4500 -19.8800
7 C1b C 24.6400 -20.5800
8 N1b N 25.8300 -19.8800
9 C5a C 27.0900 -20.5800
10 C1c C 28.2800 -19.8800
11 C1d C 29.4700 -20.5800
12 C1b C 30.6600 -19.8800
13 O2b O 31.9200 -20.5800
14 O5a O 22.1900 -21.9800
15 O5a O 27.0900 -21.9800
16 O1a O 28.2800 -18.4800
17 C1a C 29.4700 -19.1800
18 C1a C 29.4700 -21.9800
19 P1b P 33.3200 -20.5800
20 O1c O 34.7200 -20.5800
21 O1c O 33.3200 -21.9800
22 C1y C 26.8100 -15.6100
23 C1y C 28.2100 -15.6100
24 C1y C 28.6300 -14.2800
25 O2x O 27.5100 -13.4400
26 C1y C 26.3900 -14.2800
27 C1b C 29.9600 -13.8600
28 O1a O 25.9700 -16.7300
29 O2b O 29.0500 -16.7300
30 P1b P 30.4500 -16.7300
31 O1c O 30.4500 -15.3300
32 O1c O 31.8500 -16.7300
33 O1c O 30.4500 -18.1300
34 C8y C 22.2600 -12.4600
35 C8y C 22.2600 -13.8600
36 N4y N 24.7100 -13.8600
37 C8x C 24.7100 -12.4600
38 N5x N 23.4500 -11.7600
39 C8y C 21.0700 -11.7600
40 N5x N 19.8100 -12.4600
41 C8x C 19.8100 -13.8600
42 N5x N 21.0700 -14.5600
43 N1a N 21.0700 -10.3600
44 O2b O 31.9200 -14.2800
45 P1b P 33.3200 -14.2800
46 O1c O 33.3200 -12.8800
47 O1c O 34.7200 -14.2800
48 O2c O 33.3200 -17.5000
49 C5a C 16.1700 -19.8800
50 C1b C 14.9100 -20.5800
51 C2b C 13.7200 -19.8800
52 O5a O 16.1700 -18.4800
53 C2b C 12.3200 -19.8800
54 C1b C 11.1300 -20.5800
55 C2b C 9.8700 -19.8800
56 C2b C 8.4700 -19.8800
57 C1b C 7.2800 -20.5800
58 C1b C 6.0200 -19.8800
59 C1b C 4.8300 -20.5800
60 C1b C 3.6400 -19.8800
61 C1a C 2.3800 -20.5800
BOND 63
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 1
53 50 51 1
54 49 52 2
55 51 53 2
56 53 54 1
57 54 55 1
58 55 56 2
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 60 61 1
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