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Ligand ID | ELU |
InChI | InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1 |
InChIKey | SJMIVFIDXGVUHA-WKWVIOPWSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | C[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O | OpenEye OEToolkits 2.0.7 | CC(CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O | CACTVS 3.385 | C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C | CACTVS 3.385 | C[C@@H](CCO[P](O)(=O)O[P](O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C |
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Formula | C20 H38 O7 P2 |
Name | phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 8agb Chain A Residue 804
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[Download structure with residue number starting from 1]
[View ligand structure]
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