COMPOUND: C16164
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Entry
C16164 Compound
Name
(8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA;
(8Z,11Z,14Z,17Z)-Icosa-8,11,14,17-tetraenoyl-CoA
Formula
C41H66N7O17P3S
Exact mass
1053.3449
Mol weight
1053.99
Structure
Mol file
KCF file
DB search
Reaction
R11060
R12170
Pathway
map01040
Biosynthesis of unsaturated fatty acids
map01212
Fatty acid metabolism
Enzyme
1.14.19.3
1.14.19.44
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16164 (8Z,11Z,14Z,17Z)-Icosatetraenoyl-CoA
BRITE hierarchy
Other DBs
PubChem:
47205474
NIKKAJI:
J2.798.476B
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KCF data
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ATOM 69
1 S2a S 27.4400 -24.7800
2 C1b C 28.6300 -24.0800
3 C1b C 29.8900 -24.7800
4 N1b N 31.0800 -24.0800
5 C5a C 32.2700 -24.7800
6 C1b C 33.5300 -24.0800
7 C1b C 34.7200 -24.7800
8 N1b N 35.9100 -24.0800
9 C5a C 37.1700 -24.7800
10 C1c C 38.3600 -24.0800
11 C1d C 39.5500 -24.7800
12 C1b C 40.7400 -24.0800
13 O2b O 42.0000 -24.7800
14 O5a O 32.2700 -26.1800
15 O5a O 37.1700 -26.1800
16 O1a O 38.3600 -22.6800
17 C1a C 39.5500 -23.3800
18 C1a C 39.5500 -26.1800
19 P1b P 43.4000 -24.7800
20 O1c O 44.8000 -24.7800
21 O1c O 43.4000 -26.1800
22 C1y C 36.8900 -19.8100
23 C1y C 38.2900 -19.8100
24 C1y C 38.7100 -18.4800
25 O2x O 37.5900 -17.6400
26 C1y C 36.4700 -18.4800
27 C1b C 40.0400 -18.0600
28 O1a O 36.0500 -20.9300
29 O2b O 39.1300 -20.9300
30 P1b P 40.5300 -20.9300
31 O1c O 40.5300 -19.5300
32 O1c O 41.9300 -20.9300
33 O1c O 40.5300 -22.3300
34 C8y C 32.3400 -16.6600
35 C8y C 32.3400 -18.0600
36 N4y N 34.7900 -18.0600
37 C8x C 34.7900 -16.6600
38 N5x N 33.5300 -15.9600
39 C8y C 31.1500 -15.9600
40 N5x N 29.8900 -16.6600
41 C8x C 29.8900 -18.0600
42 N5x N 31.1500 -18.7600
43 N1a N 31.1500 -14.5600
44 O2b O 42.0000 -18.4800
45 P1b P 43.4000 -18.4800
46 O1c O 43.4000 -17.0800
47 O1c O 44.8000 -18.4800
48 O2c O 43.4000 -21.7000
49 C5a C 26.3200 -24.0800
50 O5a O 26.3200 -22.8200
51 C1b C 25.1300 -24.7800
52 C1b C 23.9400 -24.0800
53 C1b C 22.6800 -24.7800
54 C1b C 21.4900 -24.0800
55 C1b C 20.3000 -24.7800
56 C1b C 19.1100 -24.0800
57 C2b C 17.8500 -24.7800
58 C2b C 16.4500 -24.7800
59 C1b C 15.2600 -24.0800
60 C2b C 14.0000 -24.7800
61 C2b C 12.6000 -24.7800
62 C1b C 11.3400 -24.0800
63 C2b C 10.1500 -24.7800
64 C2b C 8.7500 -24.7800
65 C1b C 7.5600 -24.0800
66 C2b C 6.3000 -24.7800
67 C2b C 4.9000 -24.7800
68 C1b C 3.6400 -24.0800
69 C1a C 2.4500 -24.7800
BOND 71
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 55 56 1
58 56 57 1
59 57 58 2
60 58 59 1
61 59 60 1
62 60 61 2
63 61 62 1
64 62 63 1
65 63 64 2
66 64 65 1
67 65 66 1
68 66 67 2
69 67 68 1
70 68 69 1
71 55 54 1
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