3-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium
Basic information
- CAS
75414-16-3- Standard SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1- InChIKey
DAYLJWODMCOQEW-TURQNECASA-O- Molecular formula
- C11H16N2O8P+
- Average molar mass
- 335.23 g/mol
- Monoisotopic mass
- 335.06442747
Overview
NMN(+) is a nicotinamide mononucleotide. It is a conjugate acid of a NMN zwitterion.
Names & identifiers
- Preferred name
- 3-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium
- IUPAC
- [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
DTXSID40117503675414-16-3RefChem:1066971DTXCID1016064143-(Aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridiniumNMN(+)beta-nicotinamide ribose monophosphateb-D-NMN3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridiniumb-NMNbeta-delta-NMNSCHEMBL6858129
Show more names
CHEBI:14648Q271089843-(Aminocarbonyl)-1-(5-O-phosphono-I(2)-D-ribofuranosyl)pyridinium3-Carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium3-Carbamoyl-1-b-D-ribofuranosylpyridinium hydroxide 5'-phosphate inner salt3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-Pyridinium hydroxide inner salt3-(aminocarbonyl)-1-(5-O-phosphono-b-D-ribofuranosyl)-Pyridinium inner salt3-(aminocarbonyl)-1-(5-O-phosphono-beta-delta-ribofuranosyl)-Pyridinium inner salt
Database identifiers
- CAS
75414-16-3- PubChem CID
- 14181
- DTXSID
DTXSID401175036- ChEBI
CHEBI:14648- Nikkaji
- J1.476.680D
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 457
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section165.8 Ų [M+H]+
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite PathwaysNicotinate and nicotinamide metabolism
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Related reactions
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Compound notes
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