Entry
Name
Betaine citrate; Betaina Manzoni (TN)
Formula
C6H8O7. C5H12NO2
Exact mass
310.1138
Mol weight
310.28
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
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
BRITE hierarchy
Other DBs
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All DBs
KCF data
Show 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