In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/11:0/17:1(9Z))
Systematic Name
1-dodecanoyl-2-undecanoyl-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL03019KZN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
692.595490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
WWRKODLFAWDPEA-VYOBOKEXSA-N
InChi (Click to copy)
InChI=1S/C43H80O6/c1-4-7-10-13-16-19-20-21-22-23-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-26-18-15-12-9-6-3)38-47-41(44)35-32-29-27-24-17-14-11-8-5-2/h20-21,40H,4-19,22-39H2,1-3H3/b21-20-/t40-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O