NADH

NADH bmse000054 - Data bmst000113 - Theory

NADH synonyms

DPNH; Nicotinamide adenine dinucleotide

Wikipedia:

Graphical representations:

NADH

View large 3D structure

Molecular Formula: C21H29N7O14P2

Natural Isotopic Abundance Mass: 665.4409820000

Mono-Isotopic Molecular Masses:

  • C12N14: 665.124771697
  • C13N14: 686.19522329
  • C12N15: 672.104015949
  • C13N15: 693.1744675429

InChI string: InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

IUPAC: [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid

PubChem Compound (CID): 439153
KEGG Compound ID: C00004
ChEBI: 16908
PDB Compound ID: NAI

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)