Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCCCCCC[C@H]=[C@H]CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1 |
InChIKey | InChI | 1.03 | MWRBNPKJOOWZPW-NYVOMTAGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC |