bmse000060 Adenine at BMRB

Adenine

Adenine; 1H-Purine, 6-amino; 6-Amino-9H-purine; 3,6-Dihydro-6-iminopurine; 9H-Purine, 1,6-dihydro-6-imino-; 6-Amino-3H-purine; Leuco-4; 1H-Purin-6-amine; Purine, 6-amino-; Vitamin B4; 1,6-Dihydro-6-iminopurine

Molecular Formula: C5 H5 N5
Natural Isotopic Abundance Mass: 135.1267000000
Mono-Isotopic Molecular Masses: C12N14: 135.054495186; C13N14: 140.071269376; C12N15: 140.039669652; C13N15: 145.0564438415

Adenine

InCHi String:
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)

isomeric and canonical SMILES:
C1=NC2=C(N1)C(=NC=N2)N

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
7H-purin-6-amine

PubChem Substance (SID):   85164907   149245   3447
PubChem Compound (CID):   190
KEGG: Compound ID   C00147
CAS Registry IDs:   22051-90-7   42911-33-1   42911-34-2   520-75-2   73-24-5
PDB Chemical Component   ADE   ANE
Miscellaneous Databases and IDs:   CHEBI 16708   CCRIS 2556   NSC 14666   EINECS 200-796-1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.