LTV

?

Summary

Name:2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
Formula:C46 H90 O5
Formal charge:0
Molecular weight:723.204 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
OpenEye OEToolkits2.0.7[(2~{S})-3-octadecanoyloxy-2-oxidanyl-propyl] pentacosanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C46H90O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-46(49)51-43-44(47)42-50-45(48)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h44,47H,3-43H2,1-2H3/t44-/m0/s1
InChIKeyInChI1.03XHUXLZVWHLYNKB-SJARJILFSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
170172
PDB entries from 2020-10-21