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| Ligand ID | XJ7 |
| InChI | InChI=1S/C26H49O13P/c1-3-5-6-7-8-9-10-11-12-13-15-20(28)38-18(16-36-19(27)14-4-2)17-37-40(34,35)39-26-24(32)22(30)21(29)23(31)25(26)33/h18,21-26,29-33H,3-17H2,1-2H3,(H,34,35)/t18-,21-,22+,23-,24-,25+,26+/m0/s1 |
| InChIKey | PJDJYKJPFGJDMA-QYTLEKTISA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCC(=O)OC(COC(=O)CCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O | | CACTVS 3.385 | CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC)CO[P](O)(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O | | ACDLabs 12.01 | CCCC(=O)OCC(COP(OC1C(C(C(C(O)C1O)O)O)O)(O)=O)OC(CCCCCCCCCCCC)=O | | CACTVS 3.385 | CCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O |
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| Formula | C26 H49 O13 P |
| Name | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7l2u Chain A Residue 801
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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