bmse000004 ADP at BMRB

InCHi String:
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(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)OP(=O)(O)O)O)O
canonical SMILES:
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

IUPAC: IUPAC systematic
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

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

PubChem Substance (SID):   85164858   148877   3310
PubChem Compound (CID):   6022
KEGG: Compound ID   C00008
CAS Registry IDs:   58-64-0   84412-16-8
PDB Chemical Component   ADP
Miscellaneous Databases and IDs:   CHEBI 16761   Beilstein Handbook Reference 4-26-00-03629   EINECS 200-392-5

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.