In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/10:0/18:2(2E,4E))
Systematic Name
1-(9Z-heptadecenoyl)-2-decanoyl-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301A13A
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)
VTLGGBVZIAWZSM-JEXCEAFVSA-N
InChi (Click to copy)
InChI=1S/C48H86O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-35-38-41-47(50)53-44-45(54-48(51)42-39-36-31-15-12-9-6-3)43-52-46(49)40-37-34-32-29-27-25-23-21-19-17-14-11-8-5-2/h21,23,33,35,38,41,45H,4-20,22,24-32,34,36-37,39-40,42-44H2,1-3H3/b23-21-,35-33+,41-38-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O