COMPOUND: C03595
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Entry
C03595 Compound
Name
8,11,14-Eicosatrienoyl-CoA;
8,11,14-Icosatrienoyl-CoA;
(8Z,11Z,14Z)-Icosatrienoyl-CoA;
(8Z,11Z,14Z)-Icosa-8,11,14-trienoyl-CoA
Formula
C41H68N7O17P3S
Exact mass
1055.3605
Mol weight
1056.00
Structure
Mol file
KCF file
DB search
Reaction
R08182
R11059
R12171
Pathway
map01040
Biosynthesis of unsaturated fatty acids
map01212
Fatty acid metabolism
Enzyme
1.14.19.3
1.14.19.44
3.1.2.2
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C03595 (8Z,11Z,14Z)-Icosatrienoyl-CoA
BRITE hierarchy
Other DBs
PubChem:
6386
ChEBI:
27979
LIPIDMAPS:
LMFA07050285
NIKKAJI:
J2.743.021J
LinkDB
All DBs
KCF data
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ATOM 69
1 C1b C 31.1724 -25.3400
2 C5a C 32.3849 -24.6400
3 S2a S 33.5973 -25.3400
4 C1b C 34.8097 -24.6400
5 C1b C 36.0222 -25.3400
6 N1b N 37.2346 -24.6400
7 C5a C 38.4470 -25.3400
8 C1b C 39.6595 -24.6400
9 C1b C 40.8719 -25.3400
10 N1b N 42.0844 -24.6400
11 C5a C 43.2968 -25.3400
12 C1c C 44.5092 -24.6400
13 C1d C 45.7217 -25.3400
14 C1b C 46.9341 -24.6400
15 O2b O 48.1465 -25.3400
16 O5a O 32.3849 -23.2402
17 O5a O 38.4470 -26.7399
18 O5a O 43.2968 -26.7396
19 O1a O 44.5092 -23.2400
20 C1a C 45.7217 -23.9400
21 C1a C 45.7217 -26.7400
22 P1b P 49.5465 -25.3400
23 O1c O 50.9465 -25.3400
24 O1c O 49.5465 -26.7400
25 C1y C 43.0500 -20.3700
26 C1y C 44.4500 -20.3700
27 C1y C 44.8826 -19.0385
28 O2x O 43.7500 -18.2156
29 C1y C 42.6174 -19.0385
30 C1b C 46.2022 -18.6097
31 O1a O 42.2271 -21.5026
32 O2b O 45.2729 -21.5026
33 P1b P 46.6729 -21.5026
34 O1c O 46.6729 -20.1026
35 O1c O 48.0729 -21.5026
36 O1c O 46.6729 -22.9026
37 C8y C 38.5000 -17.2200
38 C8y C 38.5000 -18.6200
39 N4y N 40.9249 -18.6200
40 C8x C 40.9249 -17.2200
41 N5x N 39.7124 -16.5200
42 C8y C 37.2876 -16.5200
43 N5x N 36.0751 -17.2200
44 C8x C 36.0751 -18.6200
45 N5x N 37.2876 -19.3200
46 N1a N 37.2876 -15.1202
47 O2b O 48.1845 -19.0420
48 P1b P 49.5845 -19.0420
49 O1c O 49.5845 -17.6420
50 O1c O 50.9845 -19.0420
51 O2c O 49.5845 -22.2620
52 C1b C 29.9376 -24.6400
53 C1b C 28.7251 -25.3400
54 C1b C 27.5127 -24.6400
55 C1b C 26.3003 -25.3400
56 C1b C 25.1027 -24.6485
57 C2b C 23.9144 -25.3345
58 C2b C 22.5144 -25.3345
59 C1b C 21.3276 -24.6400
60 C2b C 20.1151 -25.3400
61 C2b C 18.7151 -25.3400
62 C1b C 17.4776 -24.6400
63 C2b C 16.2651 -25.3400
64 C2b C 14.8651 -25.3400
65 C1b C 13.6276 -24.6400
66 C1b C 12.4151 -25.3400
67 C1b C 11.2027 -24.6400
68 C1b C 9.9903 -25.3400
69 C1a C 8.7778 -24.6400
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 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 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 2
67 64 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 68 69 1
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