COMPOUND: C21937
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Entry
C21937 Compound
Name
(8Z,11Z)-Icosadienoyl-CoA;
(8Z,11Z)-Eicosadienoyl-CoA;
8Z,11Z-Eicosadienoyl-CoA
Formula
C41H70N7O17P3S
Exact mass
1057.3762
Mol weight
1058.02
Structure
Mol file
KCF file
DB search
Reaction
R12168
R12169
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
C21937 (8Z,11Z)-Icosadienoyl-CoA
BRITE hierarchy
Other DBs
PubChem:
376218970
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All DBs
KCF data
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ATOM 69
1 C1b C 28.9100 -20.7200
2 C1b C 27.7200 -20.0200
3 C1b C 26.6000 -20.7200
4 C1b C 25.3400 -20.0200
5 C1b C 24.2200 -20.7200
6 C1b C 23.1000 -20.0200
7 C2b C 21.8400 -20.7200
8 C5a C 30.1700 -20.0200
9 S2a S 31.3600 -20.7200
10 C1b C 32.5500 -20.0200
11 C1b C 33.8100 -20.7200
12 N1b N 35.0000 -20.0200
13 C5a C 36.1900 -20.7200
14 C1b C 37.4500 -20.0200
15 C1b C 38.6400 -20.7200
16 N1b N 39.8300 -20.0200
17 C5a C 41.0900 -20.7200
18 C1c C 42.2800 -20.0200
19 C1d C 43.4700 -20.7200
20 C1b C 44.6600 -20.0200
21 O2b O 45.9200 -20.7200
22 O5a O 30.1700 -18.6200
23 O5a O 36.1900 -22.1200
24 O5a O 41.0900 -22.1200
25 O1a O 42.2800 -18.6200
26 C1a C 43.4700 -19.3200
27 C1a C 43.4700 -22.1200
28 P1b P 47.3200 -20.7200
29 O1c O 48.7200 -20.7200
30 O1c O 47.3200 -22.1200
31 C1y C 40.8100 -15.7500
32 C1y C 42.2100 -15.7500
33 C1y C 42.6300 -14.4200
34 O2x O 41.5100 -13.5800
35 C1y C 40.3900 -14.4200
36 C1b C 43.9600 -14.0000
37 O1a O 39.9700 -16.8700
38 O2b O 43.0500 -16.8700
39 P1b P 44.4500 -16.8700
40 O1c O 44.4500 -15.4700
41 O1c O 45.8500 -16.8700
42 O1c O 44.4500 -18.2700
43 C8y C 36.2600 -12.6000
44 C8y C 36.2600 -14.0000
45 N4y N 38.7100 -14.0000
46 C8x C 38.7100 -12.6000
47 N5x N 37.4500 -11.9000
48 C8y C 35.0700 -11.9000
49 N5x N 33.8100 -12.6000
50 C8x C 33.8100 -14.0000
51 N5x N 35.0700 -14.7000
52 N1a N 35.0700 -10.5000
53 O2b O 45.9200 -14.4200
54 P1b P 47.3200 -14.4200
55 O1c O 47.3200 -13.0200
56 O1c O 48.7200 -14.4200
57 O2c O 47.3200 -17.6400
58 C2b C 20.4400 -20.7200
59 C1b C 19.2500 -20.0200
60 C2b C 17.9900 -20.7200
61 C2b C 16.5900 -20.7200
62 C1b C 15.3300 -20.0200
63 C1b C 14.2100 -20.7200
64 C1b C 13.0200 -20.0200
65 C1b C 11.8300 -20.7200
66 C1b C 10.7100 -20.0200
67 C1b C 9.5200 -20.6500
68 C1b C 8.3300 -19.8800
69 C1a C 7.0700 -20.5100
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 1 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 8 22 2
22 13 23 2
23 17 24 2
24 18 25 1 #Down
25 19 26 1
26 19 27 1
27 21 28 1
28 28 29 2
29 28 30 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 31 35 1
35 33 36 1 #Down
36 31 37 1 #Up
37 32 38 1 #Up
38 38 39 1
39 39 40 1
40 39 41 1
41 39 42 2
42 43 44 2
43 44 45 1
44 45 46 1
45 46 47 2
46 43 47 1
47 43 48 1
48 48 49 2
49 49 50 1
50 50 51 2
51 44 51 1
52 48 52 1
53 35 45 1 #Down
54 36 53 1
55 53 54 1
56 54 55 1
57 54 56 2
58 54 57 1
59 28 57 1
60 7 58 2
61 58 59 1
62 59 60 1
63 60 61 2
64 61 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 68 69 1
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