IG
Summary
| Name: | ISOGUANOSINE-5'-MONOPHOSPHATE |
| Formula: | C10 H14 N5 O8 P |
| Formal charge: | 0 |
| Formula weight: | 363.221 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-oxoadenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(6-amino-2-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C3N=C1C(N=CN1C2OC(C(O)C2O)COP(=O)(O)O)=C(N)N3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=C2N=CN([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=C2N=CN([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)C2=NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=NC2=C(NC(=O)N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O8P/c11-7-4-8(14-10(18)13-7)15(2-12-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | CGCGQFDYTLYDPF-UUOKFMHZSA-N |
