KEGG   DRUG: Ademetionine
Entry
D07128                      Drug                                   

Name
Ademetionine (INN);
Transmetil (TN)
Formula
C15H22N6O5S
Exact mass
398.1372
Mol weight
398.4374
Structure
Simcomp
Remark
ATC code: A16AA02
Chemical structure group: DG00144
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)
Other DBs
CAS: 17176-17-9
PubChem: 51091467
ChEMBL: CHEMBL2220241 CHEMBL24991
LigandBox: D07128
NIKKAJI: J252.823A
LinkDB
KCF data

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

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