BMRB

Biological Magnetic Resonance Data Bank


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

2'-Deoxyinosine

Graphical representations:

2'-Deoxyinosine image

Molecular Formula: C10 H12 N4 O4

Natural Isotopic Abundance Mass: 252.22668

Mono-Isotopic Molecular Masses:

  • C12N14: 252.0858548944
  • C13N14: 262.1194032724
  • C12N15: 256.0739944672
  • C13N15: 266.1075428452

InCHi String:

canonical SMILES: C1C(C(OC1N2C=NC3=C2NC=NC3=O)CO)O

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

PUBCHEM iupac NAME
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

PUBCHEM iupac TRADITIONAL NAME
9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one

PUBCHEM iupac OPENEYE NAME
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

PUBCHEM iupac CAS NAME
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one

PUBCHEM iupac SYSTEMATIC NAME
9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

PubChem Substance (SID):   144080943   92297511   58152103
PubChem Compound (CID):   65058
KEGG: Compound ID   C05512
CAS Registry IDs:   890-38-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 890-38-0   MDL number MFCD00005762   Beilstein Registry Number 33517   EC Number 212-964-1   Sigma-Aldrich D5287_SIGMA   811 HMDB00071   ChEBI CHEBI:28997   ZINC ZINC12493443

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.