KPS
Summary
| Name: | pseudouridine 5'-phosphate, linear |
| Synonyms: | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
| Formula: | C9 H15 N2 O9 P |
| Formal charge: | 0 |
| Formula weight: | 326.197 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4S)-5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1 |
| InChIKey | InChI | 1.03 | GIMVKTFECLUQAU-XVMARJQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CC1=CNC(=O)NC1=O |
| SMILES | CACTVS | 3.370 | O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CC1=CNC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)O)O |
