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GJY

Summary
Name:methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate
Synonyms:Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)
Formula:C19 H34 F O2 P
Formal charge:0
Formula weight:344.444 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate
OpenEye OEToolkits2.0.6(3~{Z},6~{Z},9~{Z})-18-[fluoranyl(methoxy)phosphoryl]octadeca-3,6,9-triene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(OC)(F)CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC
InChIInChI1.03InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1
InChIKeyInChI1.03MEHJVKGETWKOKY-SINQZMEQSA-N
SMILES_CANONICALCACTVS3.385CC\C=C/C/C=C\C\C=C/CCCCCCCC[P@](F)(=O)OC
SMILESCACTVS3.385CCC=CCC=CCC=CCCCCCCCC[P](F)(=O)OC
SMILES_CANONICALOpenEye OEToolkits2.0.6CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F
SMILESOpenEye OEToolkits2.0.6CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F

222415

PDB entries from 2024-07-10

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