BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Adenosine-3'-monophosphate

Graphical representations:

Adenosine-3'-monophosphate image

Molecular Formula: C10 H14 N5 O7 P

Natural Isotopic Abundance Mass: 347.221221

Mono-Isotopic Molecular Masses:

  • C12N14: 347.0630843401
  • C13N14: 357.0966327181
  • C12N15: 352.0482588061
  • C13N15: 362.0818071841

InCHi String: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(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

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

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

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

PUBCHEM iupac TRADITIONAL NAME
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate

PUBCHEM iupac OPENEYE NAME
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate

PUBCHEM iupac CAS NAME
[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate

PubChem Substance (SID):   85165147   671194   34706876
PubChem Compound (CID):   41211
KEGG: Compound ID   C01367
CAS Registry IDs:   84-21-9
PDB Chemical Component   3AM
Miscellaneous Databases and IDs:   Sigma-Aldrich A9272_SIGMA   ChEBI CHEBI:28931   ChemIDplus 000084219   ChemSpider 37610   EINECS 201-521-8   Beilstein Handbook Reference 4-26-00-03607

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.