ATP

• ATP
• bmse000006 - data
• bmse000854 - data
• bmse000993 - data
• bmst000033 - theory

InCHi String:
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(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)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)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]oxy-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]oxy-hydroxy-phosphoryl]oxyphosphonic acid



PubChem Substance (SID):   85164860   148785   3304
PubChem Compound (CID):   5957
KEGG: Compound ID   C00002
CAS Registry IDs:   10168-83-9   16488-07-6   51569-41-6   56-65-5   71800-44-7   84412-18-0
PDB Chemical Component   ATP
Miscellaneous Databases and IDs:   CHEBI 15422   EINECS 200-283-2