PDB CCD ID: | MJI |
Number of entries in BioLiP: | 7 |
Chemical formula: | C22 H44 F3 O6 P |
InChI: | InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1 |
InChIKey: | XPTFBVFCGHXMRK-OAQYLSRUSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC | ACDLabs 10.04 | FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC | CACTVS 3.341 | CCCCCCCCCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)OC | CACTVS 3.341 | CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@@](O)(=O)OC |
|
Name: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE; MJ33 INHIBITOR |
ChEMBL: | CHEMBL1234344 |
ZINC: | ZINC000015546241 |