Wikipedia:  

Nicotinamide D-ribonucleotide

3-(Aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium; NICOTINAMIDE MONONUCLEOTIDE; beta-Nicotinamide mononucleotide; beta-Nicotinamide ribonucleotide; Nicotinamide D-ribonucleotide; Nicotinamide mononucleotide; Pyridinium, 3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)-, inner salt; Nicotinamide ribonucleotide; beta-Nicotinamide D-ribonucleotide; NMN; Nicotinamide nucleotide
Molecular Formula
C11 H15 N2 O8 P
Natural Isotopic Abundance Mass
334.2191610000
Mono-Isotopic Molecular Masses
C12N14:   334.056601979
C13N14:   345.093505194
C12N15:   336.050671765
C13N15:   347.0875749809
Nicotinamide D-ribonucleotide image
Nicotinamide D-ribonucleotide
InCHi String:
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

canonical SMILES:
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)[O-])O)O)C(=O)N


IUPAC: IUPAC systematic
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]pyridine-5-carboxamide

IUPAC traditional: IUPAC openeye: IUPAC cas
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyridine-5-carboxamide



PubChem Substance (SID):   85165066   157468   3741
PubChem Compound (CID):   14180
KEGG: Compound ID   C00455
CAS Registry IDs:   1094-61-7
PDB Chemical Component   NMN
Miscellaneous Databases and IDs:   ChemIDplus 001094617   EINECS 214-136-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.