KEGG   COMPOUND: C00719Help
Entry
C00719                      Compound                               

Name
Betaine;
Trimethylaminoacetate;
Glycine betaine;
N,N,N-Trimethylglycine;
Trimethylammonioacetate
Formula
C5H11NO2
Exact mass
117.079
Mol weight
117.1463
Structure
Mol fileKCF fileDB search
Remark
Same as: D07523
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
map01100  Metabolic pathways
map02010  ABC transporters
Module
M00555  Betaine biosynthesis, choline => betaine
Enzyme
1.1.3.17        1.2.1.8         1.21.4.4        2.1.1.5         
2.1.1.157       2.1.1.161       2.1.1.162
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 or Enzyme Disorder: Replacement, Modifiers, Treatment
  Short Bowel Syndrome Agents
   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
Major components of natural products [BR:br08323]
 Crude drugs
  Lycium fruit
   C00719  Betaine
BRITE hierarchy
Other DBs
CAS: 107-43-7
PubChem: 3985
ChEBI: 17750
ChEMBL: CHEMBL1182 CHEMBL95889
KNApSAcK: C00007291
PDB-CCD: BET[PDBj]
3DMET: B01318
NIKKAJI: J5.058J
KCF data Show

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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