bmse000005 AMP at BMRB

AMP

Adenosine-5-monophosphoric acid; Adenosine 5'-phosphate; Myoston; AMP (nucleotide); Adenosine, mono(dihydrogen phosphate) (ester); 5'-AMP; 5'-Adenylic acid; Phosphaden; A5MP; Adenosine phosphate; ADENOSINE 5'-PHOSPHATE

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

AMP

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

IUPAC
[(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.