In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/20:3(8Z,11Z,14Z)/17:2(9Z,12Z))
Systematic Name
1-decanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL03019C1S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GCIOTTLJTVLKTR-UCBIKMLOSA-N
InChi (Click to copy)
InChI=1S/C50H86O6/c1-4-7-10-13-16-18-20-22-24-25-26-28-30-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-27-23-21-19-17-14-11-8-5-2/h14,16-18,21-24,26,28,47H,4-13,15,19-20,25,27,29-46H2,1-3H3/b17-14-,18-16-,23-21-,24-22-,28-26-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O