In-Silico Structure Database (LMISSD)
Common Name
TG(18:2(9Z,12Z)/18:4(9E,11E,13E,15E)/12:0)
Systematic Name
1-(9Z,12Z-octadecadienoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301DMJW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GGWPIJPGCUFCBY-VUVAJDRISA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-28-26-24-22-20-17-14-11-8-5-2/h8,11,14,16-17,19-20,22-26,48H,4-7,9-10,12-13,15,18,21,27-47H2,1-3H3/b11-8+,17-14+,19-16-,22-20+,25-23-,26-24+/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O