Entry
Name
Ademetionine (INN); Transmetil (TN)
Formula
C15H22N6O5S
Exact mass
398.1372
Mol weight
398.44
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Anti-inflammatory, Antirheumatic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
A ALIMENTARY TRACT AND METABOLISM
A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AA Amino acids and derivatives
A16AA02 Ademetionine
D07128 Ademetionine (INN)
BRITE hierarchy
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KCF data
Show ATOM 27
1 O6a O 10.5000 -6.2300 #-
2 C6a C 11.7124 -6.9300
3 C1c C 12.9079 -6.2396
4 O6a O 11.7125 -8.3298
5 C1b C 14.0953 -6.9251
6 N1a N 12.9080 -4.8303
7 C1b C 15.2865 -6.2371
8 S0 S 16.4760 -6.9238 #+
9 C1b C 17.6661 -6.2365
10 C1a C 16.4762 -8.3298
11 C1y C 18.8562 -6.9235
12 C1y C 19.2950 -8.2505
13 C1y C 20.6985 -8.2430
14 C1y C 21.1251 -6.9059
15 O2x O 19.9852 -6.0870
16 N4y N 22.4602 -6.4641
17 C8y C 23.5922 -7.2771
18 C8y C 24.7152 -6.4517
19 N5x N 24.2772 -5.1286
20 C8x C 22.8836 -5.1363
21 N5x N 23.7462 -8.6686
22 C8x C 25.0283 -9.2310
23 N5x N 26.1512 -8.4056
24 C8y C 25.9972 -7.0141
25 N1a N 27.1140 -6.1930
26 O1a O 21.5429 -9.3926
27 O1a O 18.4823 -9.3818
BOND 29
1 1 2 1
2 2 3 1
3 2 4 2
4 3 5 1
5 3 6 1
6 5 7 1
7 7 8 1
8 8 9 1
9 8 10 1
10 11 9 1 #Up
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 11 15 1
16 14 16 1 #Up
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 16 20 1
22 17 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 18 24 1
27 24 25 1
28 13 26 1 #Down
29 12 27 1 #Down