BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

NADP+

Graphical representations:

NADP

View large 3D structure

Molecular Formula: C21H29N7O17P3+

Natural Isotopic Abundance Mass: 744.412943

Mono-Isotopic Molecular Masses:

  • C12N14: 744.083277073
  • C13N14: 765.1537286668
  • C12N15: 751.0625213254
  • C13N15: 772.1329729192

InChI string: InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

IUPAC: [(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

PubChem Compound (CID): 5885
KEGG Compound ID: C00006
ChemIDplus: 000053598
CAS Registry number: 53-59-8 27678-67-7 10213-33-9 162195-92-8 25158-33-2
EINECS: 200-178-1
Beilstein Handbook Reference: 4-26-00-03672
PDB Compound ID: NAP

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, https://www.nature.com/articles/sdata201773)