Structure of PDB 8w5k Chain F Binding Site BS01 |
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Ligand ID | 46E |
InChI | InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1 |
InChIKey | NEZDNQCXEZDCBI-WJOKGBTCSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.9.2 | CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC | OpenEye OEToolkits 1.9.2 | CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC | ACDLabs 12.01 | O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC | CACTVS 3.385 | CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC |
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Formula | C33 H66 N O8 P |
Name | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate |
ChEMBL | |
DrugBank | |
ZINC | ZINC000032793028
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PDB chain | 8w5k Chain I Residue 401
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Enzyme Commision number |
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