In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/18:1(11Z)/12:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-(11Z-octadecenoyl)-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301A23K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
788.689390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SKAHKWSOJVUZPP-CGLBQKOASA-N
InChi (Click to copy)
InChI=1S/C50H92O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-26-24-22-20-17-14-11-8-5-2/h19,21-22,24,47H,4-18,20,23,25-46H2,1-3H3/b21-19-,24-22-/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O