B8Q
Summary
| Name: | 3-methyl, cytidine-5'-monophosphate |
| Formula: | C10 H18 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 339.239 Da |
| Component type: | RNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-3-methyl-2-oxidanylidene-4~{H}-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H18N3O8P/c1-12-6(11)2-3-13(10(12)16)9-8(15)7(14)5(21-9)4-20-22(17,18)19/h2-3,5-9,14-15H,4,11H2,1H3,(H2,17,18,19)/t5-,6+,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | HUUPYGHSEPUDJF-ANZWQOBJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H](N)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O |
| SMILES | CACTVS | 3.385 | CN1[CH](N)C=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C(C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C(C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)N |
