ATM
Summary
Name: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE |
Formula: | C10 H14 N5 O7 P |
Formal charge: | 0 |
Formula weight: | 347.221 Da |
Component type: | DNA LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3'-azido-3'-deoxythymidine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.5.0 | [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(\N=[N+]=[N-])C2)COP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P](O)(O)=O)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)COP(=O)(O)O)N=[N+]=[N-] |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-] |
InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | OIFWQOKDSPDILA-XLPZGREQSA-N |