 | | DRUG: Calcium linoleate | |
| Entry |
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| Name |
Calcium linoleate (JAN) |
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| Formula |
(C18H31O2)2. Ca
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| Exact mass |
598.4274
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| Mol weight |
598.9531
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| Structure |
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| Simcomp |
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| Efficacy |
Food additive (veterinary), Supplement (calcium) |
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| Other DBs |
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| KCF data |
ATOM 41
1 C1b C 25.7600 -18.1300
2 C1b C 24.5000 -18.8300
3 C6a C 23.3100 -18.1300
4 O6a O 22.0500 -18.8300 #-
5 O6a O 23.3100 -16.7300
6 C1b C 26.9724 -18.8300
7 C1b C 28.1849 -18.1300
8 C1b C 29.3973 -18.8300
9 C1b C 30.6097 -18.1300
10 C1b C 31.8222 -18.8300
11 C2b C 33.0346 -18.1300
12 C2b C 34.4346 -18.1300
13 C1b C 35.6524 -18.8300
14 C2b C 36.8649 -18.1300
15 C2b C 38.2649 -18.1300
16 C1b C 39.5024 -18.8300
17 C1b C 40.7149 -18.1300
18 C1b C 41.9273 -18.8300
19 C1b C 43.1397 -18.1300
20 C1a C 44.3522 -18.8300
21 Z Ca 19.6700 -21.0700 #2+
22 C1b C 25.9700 -21.9100
23 C1b C 24.7100 -22.6100
24 C6a C 23.5200 -21.9100
25 O6a O 22.2600 -22.6100 #-
26 O6a O 23.5200 -20.5100
27 C1b C 27.1600 -22.6100
28 C1b C 28.4200 -21.9100
29 C1b C 29.6100 -22.6100
30 C1b C 30.8000 -21.9100
31 C1b C 32.0600 -22.6100
32 C2b C 33.2500 -21.9100
33 C2b C 34.6500 -21.9100
34 C1b C 35.8400 -22.6100
35 C2b C 37.1000 -21.9100
36 C2b C 38.5000 -21.9100
37 C1b C 39.6900 -22.6100
38 C1b C 40.9500 -21.9100
39 C1b C 42.1400 -22.6100
40 C1b C 43.3300 -21.9100
41 C1a C 44.5900 -22.6100
BOND 38
1 3 4 1
2 3 5 2
3 1 2 1
4 2 3 1
5 1 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 2
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 24 25 1
21 24 26 2
22 22 23 1
23 23 24 1
24 22 27 1
25 27 28 1
26 28 29 1
27 29 30 1
28 30 31 1
29 31 32 1
30 32 33 2
31 33 34 1
32 34 35 1
33 35 36 2
34 36 37 1
35 37 38 1
36 38 39 1
37 39 40 1
38 40 41 1
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