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IY8

Summary
Name:methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid
Formula:C19 H35 O6 P
Formal charge:0
Formula weight:390.451 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1
InChIKeyInChI1.06KFPPYXMTKZSOKI-VGRIIWOTSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@H]([C@H](CCCCCCC/C=C/C)CC[P](O)(=O)OC)C(C)=O
SMILESCACTVS3.385COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C/C=C/CCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CC=CCCCCCCCC(CCP(=O)(O)OC)C(C(=O)C)C(=O)OC

223532

PDB entries from 2024-08-07

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