KEGG   COMPOUND: C00719
Entry
C00719                      Compound                               
Name
Betaine;
Trimethylaminoacetate;
Glycine betaine;
N,N,N-Trimethylglycine;
Trimethylammonioacetate
Formula
C5H11NO2
Exact mass
117.079
Mol weight
117.1463
Structure
Remark
Same as: D07523
Reaction
R02565 R02566 R02821 R07228 R07244 R08211 R08212 R10061
R10062 R12614 R12787 R13016 R13307
Pathway
map00260  Glycine, serine and threonine metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Module
M00555  Betaine biosynthesis, choline => betaine
M00974  Betaine metabolism, animals, betaine => glycine
M00975  Betaine degradation, bacteria, betaine => pyruvate
Network
nt06033  Glycine, serine and arginine metabolism
Enzyme
1.1.3.17        1.2.1.8         1.13.11.90      1.14.13.251     
1.21.4.4        2.1.1.5         2.1.1.157       2.1.1.161       
2.1.1.162       2.1.1.376       3.1.2.33
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
      D07523  Betaine (JAN) <JP/US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Betaine
   D07523  Betaine (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D07523  Betaine (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Betaine
    D07523  Betaine (JAN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07523
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07523
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07523
Other DBs
CAS: 107-43-7
PubChem: 3985
ChEBI: 17750
KNApSAcK: C00007291
PDB-CCD: BET[PDBj]
3DMET: B01318
NIKKAJI: J5.058J
LinkDB
KCF data

ATOM        8
            1   N1d N    25.9158  -16.0186 #+
            2   C1b C    27.1247  -16.7218
            3   C1a C    24.7013  -16.7218
            4   C1a C    25.9158  -14.6182
            5   C6a C    28.3392  -16.0186
            6   O6a O    28.3392  -14.6182
            7   O6a O    29.5478  -16.7218 #-
            8   C1a C    24.6962  -15.3153
BOND        7
            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

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