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

General Information of Drug (ID: DR2111)
Drug Name
NA-alpha-D-glucosamine
Synonyms
N-Acetyl-alpha-D-glucosamine; N-acetyl-alpha-D-glucosamine; T13TI5GH3D; alpha-GlcNAc; 10036-64-3; 1rdn; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE; 2-(acetylamino)-2-deoxy-D-glucose; 2-(acetylamino)-2-deoxy-alpha-D-glucopyranose; 2-Acetamido-2-deoxy-alpha-D-glucopyranose; AC1L335S; AC1Q5JMQ; CHEBI:44278; CHEMBL1234669; EINECS 233-115-1; N-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide; N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; SCHEMBL19899; UNII-T13TI5GH3D; alpha-D-GlcNAc
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 221.21 Topological Polar Surface Area 119
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
82313
ChEBI ID
CHEBI:44278
CAS Number
10036-64-3
Formula
C8H15NO6
Canonical SMILES
CC(=O)NC1C(C(C(OC1O)CO)O)O
InChI
1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChIKey
OVRNDRQMDRJTHS-PVFLNQBWSA-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
NA-alpha-D-glucosamine Metabolite A7 DM003933 N. A. Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004297 NA-alpha-D-glucosamine NA-alpha-D-glucosamine Metabolite A7 Unclear glnda ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
alpha-GlcNAcase (glA) DMEN187 . Not Available Not Available [2]
GlcNAc de-N-acetylase (glnda) DMEN186 . Not Available Not Available [2]
Glyceraldehyde-3-phosphate dehydrogenase (gap) DME1052 Lactobacillus acidophilus
A0A3A9YGB0_LACAI
1.2.1.-
[3]
Phosphoglucomutase 3 (PGM3) DME0536 Homo sapiens
AGM1_HUMAN
5.4.2.3
[4]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Phosphoglucomutase 3 (PGM3) DME0536 Km = 0.046 microM
AGM1_HUMAN
[4]
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: DB03740)
2 GlcNAc De-N-Acetylase from the Hyperthermophilic Archaeon Sulfolobus solfataricus
3 Cloning, expression and characterization of a mucin-binding GAPDH from Lactobacillus acidophilus. Int J Biol Macromol. 2016 Oct;91:338-46.
4 Functional cloning and mutational analysis of the human cDNA for phosphoacetylglucosamine mutase: identification of the amino acid residues essential for the catalysis. Biochim Biophys Acta. 2000 Jul 24;1492(2-3):369-76.

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