bmse000094 Hypoxanthine at BMRB

Hypoxanthine

6(1H)-Purinone; 6-Oxopurine; 9H-Purin-6-ol; 6-Hydroxy-1H-purine; Hypoxanthine enol; 3H-Purin-6-ol; 9H-Purin-6(1H)-one; HYPOXANTHINE; Hypoxanthine (VAN) (8CI); Sarcine; 6H-Purin-6-one, 1,7-dihydro-

Molecular Formula: C5 H4 N4 O
Natural Isotopic Abundance Mass: 136.1114600000
Mono-Isotopic Molecular Masses: C12N14: 136.038510771; C13N14: 141.05528496; C12N15: 140.026650344; C13N15: 145.0434245331

Hypoxanthine

InCHi String:
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

isomeric and canonical SMILES:
C1=NC2=C(N1)C(=O)N=CN2

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
3,7-dihydropurin-6-one

PubChem Substance (SID):   85164934   149159   3560
PubChem Compound (CID):   790
KEGG: Compound ID   C00262
CAS Registry IDs:   184856-40-4   25991-07-5   25991-08-6   25991-09-7   39464-15-8   39464-17-0   480-99-9   6535-89-3   68-94-0
PDB Chemical Component   HPA
Miscellaneous Databases and IDs:   CHEBI 17368   EINECS 200-697-3   NSC 14665

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.