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| Ligand ID | ZQ4 |
| InChI | InChI=1S/C39H79O8P/c1-7-8-9-10-11-17-30(2)18-12-19-31(3)20-13-21-32(4)22-14-23-33(5)24-15-25-34(6)26-16-27-46-48(44,45)29-36-38(42)39(43)37(41)35(28-40)47-36/h30-43H,7-29H2,1-6H3,(H,44,45)/t30-,31+,32+,33-,34+,35+,36-,37+,38+,39-/m0/s1 |
| InChIKey | LLTWLOYZJCWIOT-JWDSMAJRSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O | | CACTVS 3.385 | CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(=O)C[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO[P](O)(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O | | ACDLabs 12.01 | OP(=O)(CC1OC(CO)C(O)C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC |
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| Formula | C39 H79 O8 P |
| Name | 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7mxf Chain A Residue 303
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[Download structure with residue number starting from 1]
[View ligand structure]
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