A1IT3
Summary
| Name: | 2'-thiouridine-5'-monophosphate |
| Synonyms: | ((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-mercaptotetrahydrofuran-2-yl)methyl dihydrogen phosphate [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-sulfanyl-oxolan-2-yl]methyl dihydrogen phosphate; 2'-SH UMP |
| Formula: | C9 H13 N2 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 340.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-sulfanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13N2O8PS/c12-5-1-2-11(9(14)10-5)8-7(21)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13,21H,3H2,(H,10,12,14)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.06 | NYWGEABRDXTLQJ-XVFCMESISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](S)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](S)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)S |
