In-Silico Structure Database (LMISSD)
Common Name
DG(12:0/20:3(5Z,8Z,11Z)/0:0)
Systematic Name
1-dodecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL02019AF2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
562.459725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]
String Representations
InChiKey (Click to copy)
CVILJBNUQXAGIF-PAWZNTQFSA-N
InChi (Click to copy)
InChI=1S/C35H62O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(38)40-33(31-36)32-39-34(37)29-27-25-23-21-12-10-8-6-4-2/h15-16,18-19,22,24,33,36H,3-14,17,20-21,23,25-32H2,1-2H3/b16-15-,19-18-,24-22-/t33-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCC)=O