In-Silico Structure Database (LMISSD)
Common Name
TG(24:1(15Z)/20:1(13Z)/16:1(9Z))
Systematic Name
1-(15Z-tetracosenoyl)-2-(13Z-eicosenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL0301IICV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
LMTNBTZTNLDLTK-PPCBOWNNSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h20-21,23-25,27,60H,4-19,22,26,28-59H2,1-3H3/b23-20-,24-21-,27-25-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O