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Ligand ID | 0V9 |
InChI | InChI=1S/C37H72NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,35H,3-13,15,17-34,38H2,1-2H3,(H,41,42)/b16-14-/t35-/m1/s1 |
InChIKey | CZOSTDZGCCEZTJ-WMHOIYFHSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCC | CACTVS 3.370 | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCC | CACTVS 3.370 | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCC | OpenEye OEToolkits 1.7.6 | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCC |
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Formula | C37 H72 N O8 P |
Name | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate |
ChEMBL | |
DrugBank | |
ZINC | ZINC000032793830
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PDB chain | 7o0v Chain bk Residue 104
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