In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/17:1(9Z)/18:2(6Z,9Z))
Systematic Name
1-decanoyl-2-(9Z-heptadecenoyl)-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019A2N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
758.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KXNZSHNYXVGFEY-YGNZGRRYSA-N
InChi (Click to copy)
InChI=1S/C48H86O6/c1-4-7-10-13-16-18-20-22-24-26-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-15-12-9-6-3)54-48(51)42-39-36-33-30-28-25-23-21-19-17-14-11-8-5-2/h21-24,27,29,45H,4-20,25-26,28,30-44H2,1-3H3/b23-21-,24-22-,29-27-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCC)=O