In-Silico Structure Database (LMISSD)
Common Name
TG(22:0/12:0/13:0)
Systematic Name
1-docosanoyl-2-dodecanoyl-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301GYTR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
792.720690
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SCELHSGUCYEQRX-MFERNQICSA-N
InChi (Click to copy)
InChI=1S/C50H96O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-32-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-30-18-15-12-9-6-3)45-54-48(51)42-39-36-33-31-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCC)=O