| Entry |
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| Name |
1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol
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| Formula |
C41H71NO4
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| Exact mass |
641.5383
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| Mol weight |
642.01
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| Structure |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0703 Cyano esters
C13845 1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 46
1 C1a C 16.2071 -14.4141
2 C1b C 17.4228 -15.1154
3 C1b C 18.6384 -14.4141
4 C1b C 19.8540 -15.1154
5 C1b C 21.0697 -14.4141
6 C1b C 22.2852 -15.1154
7 C1b C 23.5008 -14.4141
8 C1b C 24.7165 -15.1154
9 C2b C 25.9321 -14.4141
10 C2b C 27.3348 -14.4141
11 C1b C 28.5504 -15.1154
12 C1b C 29.7661 -14.4141
13 C1b C 30.9817 -15.1154
14 C1b C 32.1973 -14.4141
15 C1b C 33.4129 -15.1154
16 C1b C 34.6285 -14.4141
17 C1b C 35.8442 -15.1154
18 C7a C 37.0599 -14.4141
19 O7a O 38.2755 -15.1154
20 O6a O 37.0599 -13.0114
21 C1c C 39.6314 -15.7700
22 C3b C 40.6132 -14.7881
23 C2c C 39.6314 -17.0791
24 C1b C 38.6028 -17.8271
25 N3a N 41.5951 -13.8062
26 C2a C 40.9873 -17.4531
27 O7a O 38.6028 -19.2298
28 C2b C 27.6621 -19.9311
29 C1b C 28.8777 -19.2298
30 C1b C 30.0933 -19.9311
31 C1b C 31.3090 -19.2298
32 C1b C 32.5246 -19.9311
33 C1b C 33.7402 -19.2298
34 C1b C 34.9559 -19.9311
35 C1b C 36.1716 -19.2298
36 C7a C 37.3871 -19.9311
37 O6a O 37.3871 -21.3338
38 C2b C 26.2594 -19.9311
39 C1a C 16.5344 -19.9311
40 C1b C 17.7500 -19.2298
41 C1b C 18.9657 -19.9311
42 C1b C 20.1813 -19.2298
43 C1b C 21.3969 -19.9311
44 C1b C 22.6126 -19.2298
45 C1b C 23.8282 -19.9311
46 C1b C 25.0438 -19.2298
BOND 45
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 2
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 18 20 2
20 19 21 1
21 21 22 1
22 21 23 1
23 23 24 1
24 22 25 3
25 23 26 2
26 24 27 1
27 28 29 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 34 35 1
34 35 36 1
35 36 27 1
36 36 37 2
37 28 38 2
38 39 40 1
39 40 41 1
40 41 42 1
41 42 43 1
42 43 44 1
43 44 45 1
44 45 46 1
45 46 38 1
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