Structure of PDB 8wrb Chain R Binding Site BS02 |
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Ligand ID | UBL |
InChI | InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1 |
InChIKey | WRGQSWVCFNIUNZ-GDCKJWNLSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O | OpenEye OEToolkits 2.0.7 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O | CACTVS 3.385 | CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O | CACTVS 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O |
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Formula | C21 H41 O7 P |
Name | [(2R)-2-oxidanyl-3-phosphonooxy-propyl] (Z)-octadec-9-enoate |
ChEMBL | CHEMBL117021 |
DrugBank | |
ZINC | ZINC000008860530
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PDB chain | 8wrb Chain R Residue 603
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Enzyme Commision number |
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