KEGG   DRUG: Betaine aspartate
Entry
D07524                      Drug                                   
Name
Betaine aspartate;
Somathl (TN)
Formula
C4H6NO4. C5H12NO2
Exact mass
250.1165
Mol weight
250.249
Structure
Remark
ATC code: A16AA06
Chemical structure group: DG00145
Product (DG00145): D07523<JP/US>
Efficacy
Choleretic, Hepatoprotectant
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
     A16AA06 Betaine
      D07524  Betaine aspartate
Other DBs
CAS: 52921-08-1
PubChem: 51091847
LigandBox: D07524
NIKKAJI: J244.391K
KCF data

ATOM        17
            1   N1d N    17.4437  -18.0747 #+
            2   C1b C    18.6347  -18.7753
            3   C1a C    16.2527  -18.7753
            4   C1a C    17.4437  -16.6736
            5   C6a C    19.8957  -18.0747
            6   O6a O    19.8957  -16.6736
            7   O6a O    21.0867  -18.7753
            8   C1a C    17.4437  -19.4759
            9   O6a O    25.9907  -18.2849 #-
            10  C6a C    27.2041  -17.5843
            11  C1c C    28.4176  -18.2849
            12  C1b C    29.6310  -17.5843
            13  C6a C    30.8444  -18.2849
            14  O6a O    32.0579  -17.5843
            15  O6a O    27.2041  -16.1834
            16  O6a O    30.8444  -19.6860
            17  N1a N    28.4176  -19.6859
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     5   6 2
            6     5   7 1
            7     1   8 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   10  15 2
            14   13  16 2
            15   11  17 1 #Down

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (6)   

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