In-Silico Structure Database (LMISSD)
Common Name
TG(22:1(13Z)/11:0/10:0)
Systematic Name
1-(13Z-docosenoyl)-2-undecanoyl-3-decanoyl-sn-glycerol
LM ID
LMGL0301G32Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
734.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SQLFQRQWLBSJTC-PFEDCXCRSA-N
InChi (Click to copy)
InChI=1S/C46H86O6/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-28-31-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-15-12-9-6-3)52-46(49)40-37-34-30-17-14-11-8-5-2/h20-21,43H,4-19,22-42H2,1-3H3/b21-20-/t43-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O