Structure of PDB 3f7d Chain A Binding Site BS02 |
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| Ligand ID | P42 |
| InChI | InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1 |
| InChIKey | LYKCEYRWVRQPBD-FEWNNGCESA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[C@@H](O)CCCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCCCC[CH](O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCCCC | | OpenEye OEToolkits 1.7.5 | CCCCCCCCCCCCCCCCCC(O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCCCCCCCCCC)O | | OpenEye OEToolkits 1.7.5 | CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O | | ACDLabs 10.04 | [O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC |
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| Formula | C42 H88 N O8 P |
| Name | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate;
1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine |
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| PDB chain | 3f7d Chain A Residue 1
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