In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/14:1(9Z)/17:1(9Z))
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-tetradecenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL0301DP2Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
810.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NNCQHRQAPFITKH-VYTNWXGHSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,23-26,31,33,49H,4-14,17,20-22,27-30,32,34-48H2,1-3H3/b18-15-,19-16-,25-23-,26-24-,33-31-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O