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 image

Molecular Formula: C10 H16 N5 O13 P3

Natural Isotopic Abundance Mass: 507.1810230000

Mono-Isotopic Molecular Masses:

  • C12N14: 506.995745157
  • C13N14: 517.029293535
  • C12N15: 511.980919623
  • C13N15: 522.0144680009

InCHi String: InChI=1S/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

isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

canonical SMILES: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

IUPAC: IUPAC systematic
[[[(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

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

PubChem Substance (SID):   85165026   207063   3581
PubChem Compound (CID):   65103
KEGG: Compound ID   C00286
CAS Registry IDs:   2564-35-4
PDB Chemical Component   DGT
Miscellaneous Databases and IDs:   CHEBI 16497   EINECS 219-887-2

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.