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| Ligand ID | XL0 |
| InChI | InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41-42H,3-13,15,19-36H2,1-2H3,(H,45,46)/b16-14-,18-17-/t37-,38-/m1/s1 |
| InChIKey | VCYYBLIRAQBPTM-CTDKCSBDSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCCCCC/C=C\CCCCCC)CCCCCCC/C=C\CCCCCCCC | | CACTVS 3.385 | CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P](O)(=O)OC[CH](O)CO | | CACTVS 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)CO[P](O)(=O)OC[C@H](O)CO | | OpenEye OEToolkits 2.0.7 | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@@H](CO)O | | OpenEye OEToolkits 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCC(CO)O |
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| Formula | C40 H75 O10 P |
| Name | (7Z,19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacos-7-en-19-yl (9Z)-octadec-9-enoate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8fai Chain K Residue 201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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