IC
Summary
Name: | ISOCYTIDINE-5'-MONOPHOSPHATE |
Formula: | C9 H14 N3 O8 P |
Formal charge: | 0 |
Formula weight: | 323.197 Da |
Component type: | RNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-4(1H)-one |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(2-amino-4-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N=C(N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)N |
SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)C=CN1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | NC1=NC(=O)C=CN1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=NC1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H14N3O8P/c10-9-11-5(13)1-2-12(9)8-7(15)6(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H2,10,11,13)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | ONSQLDCEJIIUJS-XVFCMESISA-N |