KEGG   DRUG: Betaine citrate
Entry
D07525                      Drug                                   

Name
Betaine citrate;
Betaina Manzoni (TN)
Formula
C6H8O7. C5H12NO2
Exact mass
310.1138
Mol weight
310.2778
Structure
Simcomp
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
      D07525  Betaine citrate
Other DBs
CAS: 17671-50-0
PubChem: 51091848
LigandBox: D07525
NIKKAJI: J290.359H
LinkDB
KCF data

ATOM        21
            1   N1d N    14.9203   -7.4316 #+
            2   C1b C    16.1110   -8.1321
            3   C1a C    13.7295   -8.1321
            4   C1a C    14.9203   -6.0307
            5   C6a C    17.3719   -7.4316
            6   O6a O    17.3719   -6.0307
            7   O6a O    18.5626   -8.1321
            8   C1a C    14.9203   -8.8325
            9   C1d C    24.7800   -7.3500
            10  C1b C    23.5900   -8.0500
            11  C1b C    25.9700   -8.0500
            12  C6a C    25.4800   -6.1600
            13  O1a O    24.0800   -6.1600
            14  C6a C    22.4000   -7.4200
            15  C6a C    25.9700   -9.4500
            16  O6a O    24.7800   -4.9700
            17  O6a O    26.8800   -6.1600
            18  O6a O    21.1400   -8.1200
            19  O6a O    22.4000   -6.0200
            20  O6a O    27.2300  -10.1500
            21  O6a O    24.7800  -10.1500
BOND        19
            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     9  11 1
            10    9  12 1
            11    9  13 1
            12   10  14 1
            13   11  15 1
            14   12  16 1
            15   12  17 2
            16   14  18 1
            17   14  19 2
            18   15  20 1
            19   15  21 2

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