Adenine

Adenine bmse000060 - Data bmse000861 - Data bmse000995 - Data bmst000007 - Theory

Adenine synonyms

1H-Purine, 6-amino; AI3-50679; 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; USAF CB-18

Wikipedia:

Graphical representations:

adenine

View large 3D structure

Molecular Formula: C5H5N5

Natural Isotopic Abundance Mass: 135.1267000000

Mono-Isotopic Molecular Masses:

  • C12N14: 135.054495186
  • C13N14: 140.071269376
  • C12N15: 140.039669652
  • C13N15: 140.071269376

InChI string: InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h7H,6H2

IUPAC: 7H-purin-6-amine

PubChem Compound (CID): 190
KEGG Compound ID: C00147
CAS Registry number: 22051-90-7 42911-33-1 42911-34-2 520-75-2 73-24-5
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.

InChI string and atom numbering calculated using ALATIS (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, https://www.nature.com/articles/sdata201773)