Y5P
Summary
| Name: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine |
| Synonyms: | PYRIMIDINE RIBOSIDE-5'-MONOPHOSPHATE |
| Formula: | C9 H15 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 294.198 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-O-phosphono-beta-D-ribofuranosyl)-1,4-dihydropyrimidine |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(4H-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C=NCC=C1)C(O)C2O |
| InChI | InChI | 1.03 | InChI=1S/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1,3,5-9,12-13H,2,4H2,(H2,14,15,16)/t6-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | ZGXCQKJYIKURPN-FNCVBFRFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CCN=C2 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CCN=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C=CN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C=CN(C=N1)C2C(C(C(O2)COP(=O)(O)O)O)O |
