Chemical Component Summary

NameINOSINE-5'-DIPHOSPHATE
Identifiers[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
FormulaC10 H14 N4 O11 P2
Molecular Weight428.186
TypeNON-POLYMER
Isomeric SMILESc1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O
InChIInChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyJPXZQMKKFWMMGK-KQYNXXCUSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count5
Bond Count43
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 5280321, 6831, 135398651
ChEMBL CHEMBL1233551
ChEBI CHEBI:17808