APX

2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE


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Chemical Component Summary

Name2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE
Identifiers[[(2R,3R,4R,5R)-5-(6-amino-2,6-dihydro-1H-purin-3-ium-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
FormulaC15 H29 N5 O17 P3
Molecular Weight644.335
TypeNON-POLYMER
Isomeric SMILESc1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N
InChIInChI=1S/C15H28N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h4-6,8-12,14-15,17-18,21-24H,1-3,16H2,(H,28,29)(H,30,31)(H2,25,26,27)/p+1/t5-,6-,8-,9-,10-,11-,12-,14-,15-/m1/s1
InChIKeyQHNQLFGTVLWISK-MQSGHBOVSA-O

Chemical Details

Formal Charge1
Atom Count69
Chiral Atom Count11
Bond Count72
Aromatic Bond Count5

Drug Info: DrugBank

DrugBank IDDB04497 
Name2'-Monophosphoadenosine-5'-Diphosphoribose
Groups experimental
Synonyms2'-Monophosphoadenosine-5'-Diphosphoribose

Related Resource References

Resource NameReference
PubChem 131704284, 49866640