Structure of PDB 5yk6 Chain A Binding Site BS01 |
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Ligand ID | 3PH |
InChI | InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 |
InChIKey | YFWHNAWEOZTIPI-DIPNUNPCSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC | ACDLabs 10.04 | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | CACTVS 3.341 | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC | CACTVS 3.341 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC |
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Formula | C39 H77 O8 P |
Name | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE; PHOSPHATIDIC ACID |
ChEMBL | |
DrugBank | |
ZINC | ZINC000058632461
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PDB chain | 5yk6 Chain A Residue 501
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Enzyme Commision number |
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