Biological Magnetic Resonance Data Bank

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


Graphical representations:

Guanosine image

View large 3D structure

Molecular Formula: C10 H13 N5 O5

Natural Isotopic Abundance Mass: 283.2407200000

Mono-Isotopic Molecular Masses:

  • C12N14: 283.091668554
  • C13N14: 293.125216932
  • C12N15: 288.07684302
  • C13N15: 298.1103913978

InChI String: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1

isomeric SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N

canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

IUPAC: IUPAC systematic

IUPAC traditional

IUPAC cas: IUPAC openeye

PubChem Substance (SID):   85164932   151492   3677
PubChem Compound (CID):   6802
KEGG: Compound ID   C00387
CAS Registry IDs:   118-00-3   484-80-0   85-30-3
PDB Chemical Component   GMP
Miscellaneous Databases and IDs:   CHEBI 16750   NSC 19994   EINECS 204-227-8

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,