BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2'-Deoxyguanosine 5'-triphosphate

Graphical representations:

2_deoxyguanosine_5_triphosphate

View large 3D structure

Molecular Formula: C10H16N5O13P3

Natural Isotopic Abundance Mass: 507.1810230000

Mono-Isotopic Molecular Masses:

  • C12N14: 506.995745157
  • C13N14: 517.029293535
  • C12N15: 511.980919623
  • C13N15: 517.029293535

InChI string: InChI=1/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h13,18-19,21,23H,11H2

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

PubChem Compound (CID): 65103
KEGG Compound ID: C00286
CAS Registry number: 2564-35-4
ChEBI: 16497
EINECS: 219-887-2

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)