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

General Information of Drug (ID: DR2113)
Drug Name
NMN zwitterion
Synonyms
Nicotinamide mononucleotide; Nicotinamide ribotide; beta-NMN; beta-Nicotinamide mononucleotide; beta-Nicotinamide ribonucleotide; beta-nicotinamide D-ribonucleotide; nicotinamide D-ribonucleotide; nicotinamide mononucleotide; nicotinamide nucleotide; nicotinamide ribonucleotide; 1094-61-7; 2KG6QX4W0V; 3-(Aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium; CHEBI:16171; NMN; Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt; UNII-2KG6QX4W0V; beta-nicotinamide ribose monophosphate
Indication Rheumatoid arthritis [ICD11: FA20] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 334.22 Topological Polar Surface Area 166
Heavy Atom Count 22 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
14180
ChEBI ID
CHEBI:16171
CAS Number
1094-61-7
TTD Drug ID
D06NVJ
Formula
C11H15N2O8P
Canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N
InChI
1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
InChIKey
DAYLJWODMCOQEW-TURQNECASA-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
NAD+ DM003846
5892
Unclear 1 [4]
Nucleosides DM004011 N. A. Unclear 1 [5]
Nicotinamide (NAM) DM003547
936
Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004387 NMN zwitterion Nucleosides Unclear Unclear [5]
MR004388 NMN zwitterion NAD+ Unclear Unclear [4]
MR004389 NAD+ Nicotinamide (NAM) Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Nicotinate-nucleotide adenylyltransferase 1 (NMNAT1) DME0493 Homo sapiens
NMNA1_HUMAN
2.7.7.1
[2]
Nicotinate-nucleotide adenylyltransferase 3 (NMNAT3) DME0492 Homo sapiens
NMNA3_HUMAN
2.7.7.1
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Nicotinate-nucleotide adenylyltransferase 1 (NMNAT1) DME0493 Km = 0.032 microM
NMNA1_HUMAN
[2]
Nicotinate-nucleotide adenylyltransferase 3 (NMNAT3) DME0492 Km = 0.021 microM
NMNA3_HUMAN
[3]
References
1 Drug information of Nicotinamide. United States Environmental Protection Agency. 2015
2 Subcellular compartmentation and differential catalytic properties of the three human nicotinamide mononucleotide adenylyltransferase isoforms. J Biol Chem. 2005 Oct 28;280(43):36334-41.
3 The NMN/NaMN adenylyltransferase (NMNAT) protein family. Front Biosci (Landmark Ed). 2009 Jan 1;14:410-31.
4 #NAME?
5 Mitochondria metabolomics reveals a role of -nicotinamide mononucleotide metabolism in mitochondrial DNA replication

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