BMRB

Biological Magnetic Resonance Data Bank


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

DADP

DADP bmse000253 - Data bmst000231 - Theory

DADP synonyms

2'-Deoxyadenosine 5'-(trihydrogen diphosphate); 2'-Deoxyadenosine 5'-diphosphate; Deoxyadenosine diphosphate

Wikipedia:

Graphical representations:

dADP

View large 3D structure

Molecular Formula: C10H15N5O9P2

Natural Isotopic Abundance Mass: 411.2017220000

Mono-Isotopic Molecular Masses:

  • C12N14: 411.034500126
  • C13N14: 421.068048504
  • C12N15: 416.019674592
  • C13N15: 421.068048504

InChI string: InChI=1/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1/f/h17-18,20H,11H2

IUPAC: [[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Compound (CID): 188966
KEGG Compound ID: C00206
ChemIDplus: 002793068
CAS Registry number: 2793-06-8

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)