Biological Magnetic Resonance Data Bank

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


Graphical representations:

AMP image

View large 3D structure

Molecular Formula: C10 H14 N5 O7 P

Natural Isotopic Abundance Mass: 347.2212210000

Mono-Isotopic Molecular Masses:

  • C12N14: 347.06308434
  • C13N14: 357.096632718
  • C12N15: 352.048258806
  • C13N15: 362.0818071841

InChI String: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O

[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxyphosphonic acid

PubChem Substance (SID):   85164859   148970   3322
PubChem Compound (CID):   6083
KEGG: Compound ID   C00020
CAS Registry IDs:   162756-82-3   47286-65-7   47287-97-8   53624-78-5   61-19-8   67583-85-1
PDB Chemical Component   A   AMP   AP7
Miscellaneous Databases and IDs:   CHEBI 16027   Beilstein Handbook Reference 4-26-00-03615   EINECS 200-500-0   NSC 20264   HSDB 3281

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,