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

General Information of Drug (ID: DR2042)
Drug Name
Methylamine
Synonyms
Aminomethane; Anhydrous Methylamine; BAVYZALUXZFZLV-UHFFFAOYSA-N; Carbinamine; METHYLAMINE; Mercurialin; Methanamine; Methylamine aq; Methylamine solutions; Methylamine, anhydrous; Methylamine, in aqueous solution; Methylaminen; Methylaminen [Dutch]; Metilamine; Metilamine [Italian]; Metyloamina; Metyloamina [Polish]; Monomethylamine; N-Methylamine; UN1061; UN1235; methyl-amine; monomethyl amine; 74-89-5; AI3-15637-X; BSF23SJ79E; CCRIS 2508; CH3NH2; CHEBI:16830; EINECS 200-820-0; HSDB 810; MeNH2; UNII-BSF23SJ79E
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 31.057 Topological Polar Surface Area 26
Heavy Atom Count 2 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
6329
ChEBI ID
CHEBI:16830
CAS Number
74-89-5
Formula
CH5N
Canonical SMILES
CN
InChI
1S/CH5N/c1-2/h2H2,1H3
InChIKey
BAVYZALUXZFZLV-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
CO2 DM000908
280
Unclear 1 [3]
Formaldehyde DM001748
712
Oxidation - Deamination 1 [4]
NH4+ DM003891
223
Unclear 1 [3]
Hydrogen peroxide DM001730
784
Oxidation - Deamination 2 [5]
NH3 DM003052
222
Oxidation - Deamination 3 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004248 Methylamine Formaldehyde Oxidation - Deamination AOC2 [4]
MR004251 Methylamine Carbon dioxide Unclear Unclear [3]
MR004252 Methylamine NH4+ Unclear Unclear [3]
MR004249 Methylamine H2O2 Oxidation - Deamination AOC2 [5]
MR004250 Methylamine Ammonia Oxidation - Deamination AOC2 [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Copper amine oxidase (AOC3) DME0405 Homo sapiens
AOC3_HUMAN
1.4.3.21
[2]
Semicarbazide-sensitive amine oxidase (AOC2) DME0477 Homo sapiens
AOC2_HUMAN
1.4.3.21
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Semicarbazide-sensitive amine oxidase (AOC2) DME0477 Km = 0.67 microM
AOC2_HUMAN
[2]
Copper amine oxidase (AOC3) DME0405 Km = 0.67 microM
AOC3_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB01828)
2 The unique substrate specificity of human AOC2, a semicarbazide-sensitive amine oxidase. Cell Mol Life Sci. 2009 Aug;66(16):2743-57.
3 Microbial metabolism of methanol and methylamine in the Gulf of Mexico: insight into marine carbon and nitrogen cycling
4 Methylamine: a new endogenous modulator of neuron firing?
5 Deamination of methylamine and angiopathy; toxicity of formaldehyde, oxidative stress and relevance to protein glycoxidation in diabetes

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.