BMRB

Biological Magnetic Resonance Data Bank


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

GDP

Graphical representations:

GDP

View large 3D structure

Molecular Formula: C10H15N5O11P2

Natural Isotopic Abundance Mass: 443.2005220000

Mono-Isotopic Molecular Masses:

  • C12N14: 443.024329371
  • C13N14: 453.057877749
  • C12N15: 448.009503837
  • C13N15: 458.0430522146

InChI string: InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

IUPAC: [[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Compound (CID): 8977
KEGG Compound ID: C00035
ChemIDplus: 000146918
CAS Registry number: 2577-83-5 146-91-8
PDB Compound ID: GDP

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)