ELR

?

Summary

Name:phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:C20 H38 O7 P2
Formal charge:0
Molecular weight:452.459 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1
InChIKeyInChI1.03SJMIVFIDXGVUHA-UJMPLXFMSA-N
SMILES_CANONICALCACTVS3.385C[C@H](CCO[P](O)(=O)O[P](O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
SMILESCACTVS3.385C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
SMILESOpenEye OEToolkits2.0.7CC(CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O
171916
PDB entries from 2020-12-02