Structure of PDB 6v1x Chain B Binding Site BS01 |
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Ligand ID | QNP |
InChI | InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1 |
InChIKey | GDXQVZUHVZYLSC-DEOSSOPVSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)O | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)CO[P](O)(O)=O | ACDLabs 12.01 | CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(O)=O | OpenEye OEToolkits 2.0.7 | CCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC)COP(=O)(O)O |
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Formula | C26 H51 O8 P |
Name | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 6v1x Chain B Residue 601
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Enzyme Commision number |
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