ATD
Summary
Name: | THYMIDINE-3'-PHOSPHATE |
Formula: | C10 H15 N2 O8 P |
Formal charge: | 0 |
Formula weight: | 322.208 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3'-thymidylic acid |
OpenEye OEToolkits | 1.5.0 | [(2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2C[C@H](O[P](O)(O)=O)[C@@H](CO)O2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO)O2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m0/s1 |
InChIKey | InChI | 1.03 | XXYIANZGUOSQHY-RNJXMRFFSA-N |