L4P
Summary
| Name: | 3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL |
| Synonyms: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL |
| Formula: | C46 H95 O8 P |
| Formal charge: | 0 |
| Formula weight: | 807.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2,3-dihydroxypropyl (2S)-2-{[(3R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl hydrogen (R)-phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OCC[C@H](C)CCCC(C)CCCC(C)CCCC(C)C |
| SMILES | CACTVS | 3.341 | CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO)OCC[CH](C)CCCC(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)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(CO)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1 |
| InChIKey | InChI | 1.03 | AFYVWQWWQKSZEV-WGOBCRBGSA-N |
