CH
Summary
Name: | N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE |
Formula: | C9 H15 N3 O8 P |
Formal charge: | 1 |
Formula weight: | 324.204 Da |
Component type: | RNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 5'-cytidylic acid |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1 |
SMILES | CACTVS | 3.341 | NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | ULTJSGLMABORQB-XVFCMESISA-O |