23G
Summary
| Name: | GUANOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE |
| Formula: | C10 H13 N5 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 425.185 Da |
| Component type: | RNA OH 3 prime terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | [(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.6.1 | [(1R,3S,5R,6R,8R)-8-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[3.3.0]octan-6-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C4NC(=Nc1c4ncn1C2OC(C3OP(=O)(O)OC23)COP(=O)(O)O)N |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[P](O)(=O)O[C@@H]34 |
| SMILES | CACTVS | 3.352 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5O10P2/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(24-27(20,21)25-6)3(23-9)1-22-26(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZBMMALUAVDLKSL-UUOKFMHZSA-N |
