BMRB

Biological Magnetic Resonance Data Bank


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

Purine

Graphical representations:

purine image

Molecular Formula: C5 H4 N4

Natural Isotopic Abundance Mass: 120.11206

Mono-Isotopic Molecular Masses:

  • C12N14: 120.0435961492
  • C13N14: 125.0603703382
  • C12N15: 124.031735722
  • C13N15: 129.048509911

InCHi String: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)

canonical and isomeric SMILES: C1=C2C(=NC=N1)N=CN2

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
7H-purine

PubChem Substance (SID):   85165243   7993801   3113
PubChem Compound (CID):   1044
KEGG: Compound ID   C00465
CAS Registry IDs:   120-73-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich P1655_SIGMA   CambridgeSoft Corporation 8193   ChEBI CHEBI:17258   ZINC ZINC00152268   BioCyc PURINE-RING   ChemIDplus 000120730   ChemSpider 11648663   EINECS 204-421-2   NMRShiftDB 10016247   ChemDB 4727499   NIST Chemistry WebBook 3964834558

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.