In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/17:1(9Z)/18:1(6Z))
Systematic Name
1-dodecanoyl-2-(9Z-heptadecenoyl)-3-(6Z-octadecenoyl)-sn-glycerol
LM ID
LMGL03019LO8
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)
PYIGAZBBWXHBEJ-HNMMDNNESA-N
InChi (Click to copy)
InChI=1S/C50H92O6/c1-4-7-10-13-16-19-21-23-25-27-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h22,24,28,31,47H,4-21,23,25-27,29-30,32-46H2,1-3H3/b24-22-,31-28-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COC(CCCCCCCCCCC)=O