BMQ
Summary
| Name: | 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID |
| Formula: | C9 H13 N2 O10 P |
| Formal charge: | 0 |
| Formula weight: | 340.181 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-oxouridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.2 | [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | AODYJUNLDJOADV-YXZULKJRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1C(=O)NC(=O)N(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
