In-Silico Structure Database (LMISSD)
Common Name
TG(15:1(9Z)/24:4(5Z,8Z,11Z,14Z)/10:0)
Systematic Name
1-(9Z-pentadecenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-decanoyl-sn-glycerol
LM ID
LMGL0301AFI2
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)
VRAZDNPBRVNGCJ-IERNARSHSA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-28-29-30-32-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-15-12-9-6-3)48-57-51(54)45-42-39-36-33-31-21-19-17-14-11-8-5-2/h17,19,23-24,26-27,29-30,34,37,49H,4-16,18,20-22,25,28,31-33,35-36,38-48H2,1-3H3/b19-17-,24-23-,27-26-,30-29-,37-34-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O