Molecular Identity
1094-61-7
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID: 14180
NMN zwitterion is a nicotinamide mononucleotide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate base of a NMN(+). It is a conjugate acid of a NMN(-).
2D Structure
Properties
C11H15N2O8P
Molecular Formula
334.22
Molecular Weight
g/mol
334.0566
Exact Mass
Da
-3.5
XLogP
Drug-like (Lipinski: < 5)
166
TPSA
May have limited oral absorption
4
H-Bond Donors
8
H-Bond Acceptors
455
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1094-61-7nicotinamide mononucleotideNicotinamide ribotide2KG6QX4W0VPyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner saltDTXSID50911152[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateAlpha9((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate3-carbamoyl-1-((2R,3R,4S,5R)-5-((hydrogen phosphonatooxy)methyl)-3,4-dihydroxyoxolan-2-yl)-1$l^(5)-pyridin-1-ylium3-carbamoyl-1-[(2R,3R,4S,5R)-5-[(hydrogen phosphonatooxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1$l^{5}-pyridin-1-yliumELITEHEALTHREUS NRRefChem:854107Mononucleotide, Nicotinamide
Data from PubChem (NCBI)
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Drug Network
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