QUO
Summary
| Name: | 2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-CYCLOPENTYLAMINO)-GUANOSINE-5'-MONOPHOSPHATE |
| Formula: | C17 H26 N5 O10 P |
| Formal charge: | 0 |
| Formula weight: | 491.39 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-5-({[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino}methyl)-7-(5-O-phosphono-beta-D-ribofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-[2-amino-5-[[[(1R,2S,3R)-2,3-dihydroxycyclopentyl]amino]methyl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N)N1)n(cc2CNC3CCC(O)C3O)C4OC(C(O)C4O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(cc(CN[C@@H]3CC[C@@H](O)[C@H]3O)c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(cc(CN[CH]3CC[CH](O)[CH]3O)c2C(=O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CNC4CCC(C4O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H26N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h4,7-9,11-13,16,19,23-26H,1-3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9-,11+,12-,13-,16-/m1/s1 |
| InChIKey | InChI | 1.03 | VYTHZZVQRUCDCO-LXGXKJLISA-N |
