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| Ligand ID | IKV |
| InChI | InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3/t34-,35-,38-,39+,40-,41-/m0/s1 |
| InChIKey | DFUALJIUMYYHRG-DWBMWBIPSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC | | CACTVS 3.385 | CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC |
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| Formula | C41 H78 O10 |
| Name | [(2~{R})-2-hexadecanoyloxy-3-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propyl] hexadecanoate |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000238766867
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| PDB chain | 7z6q Chain a Residue 819
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[View ligand structure]
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