L3P
Summary
| Name: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE |
| Formula: | C46 H94 O11 P2 |
| Formal charge: | -2 |
| Formula weight: | 885.179 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2R)-3-[[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCCC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)OC[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC[C@H](C)CCCC(C)CCCC(C)C |
| SMILES | CACTVS | 3.341 | CC(C)CCCC(C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH](C)CCCC(C)CCCC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1 |
| InChIKey | InChI | 1.03 | TZXJQSKPTCRGCA-VZSPAKCESA-L |
