LCS
Summary
| Name: | [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate |
| Formula: | C11 H14 N3 O7 P |
| Formal charge: | 0 |
| Formula weight: | 331.219 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.2 | [6-methyl-5-oxidanyl-4-[[(E)-(3-oxidanylidene-1,2-oxazolidin-4-ylidene)amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2 |
| InChI | InChI | 1.03 | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+ |
| InChIKey | InChI | 1.03 | KFCQHWOGBVCKHR-UKTHLTGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O |
| SMILES | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O |
