Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Nicotinamide D-ribonucleotide

Graphical representations:


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Molecular Formula: C11H15N2O8P

Natural Isotopic Abundance Mass: 334.2191610000

Mono-Isotopic Molecular Masses:

  • C12N14: 334.056601979
  • C13N14: 345.093505194
  • C12N15: 336.050671765
  • C13N15: 347.0875749809

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

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

PubChem Compound (CID): 14180
KEGG Compound ID: C00455
ChemIDplus: 001094617
CAS Registry number: 1094-61-7
EINECS: 214-136-5
PDB Compound ID: NMN

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,