Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O |
InChI | InChI | 1.03 | InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1 |
InChIKey | InChI | 1.03 | YVYMBNSKXOXSKW-FQEVSTJZSA-N |