Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5299)
Drug Name
Betaine
Synonyms Cystadane
Indication Inborn error of metabolism [ICD11: 5C50-5C59] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 117.15 Topological Polar Surface Area 40.1
Heavy Atom Count 8 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
247
ChEBI ID
CHEBI:17750
CAS Number
107-43-7
TTD Drug ID
D0XB8P
Formula
C5H11NO2
Canonical SMILES
C[N+](C)(C)CC(=O)[O-]
InChI
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey
KWIUHFFTVRNATP-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
N,N-dimethylglycine DM014823
673
Oxidation - Demethylation 1 [3]
Sarcosine DM014844
1088
Unclear - Unclear 2 [3]
Glycine DM006517
750
Unclear - Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010761 Betaine N,N-dimethylglycine Oxidation - Demethylation BHMT [3]
MR010762 N,N-dimethylglycine Sarcosine Unclear - Unclear Unclear [3]
MR010763 Sarcosine Glycine Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Betaine--homocysteine S-methyltransferase 1 (BHMT) DMEN811 Homo sapiens
BHMT1_HUMAN
2.1.1.5
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4550).
2 Health Functionalities of Betaine in Patients With Homocystinuria
3 Betaine in human nutrition

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