In-Silico Structure Database (LMISSD)

Common Name
TG(12:0/12:0/18:2(9E,11E))
Systematic Name
1,2-di-dodecanoyl-3-(9E,11E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019K2C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
718.611140
Formula
C45H82O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
DOUAIOXXGVCGIJ-GDURVEJLSA-N
InChi (Click to copy)
InChI=1S/C45H82O6/c1-4-7-10-13-16-19-20-21-22-23-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-26-18-15-12-9-6-3)40-49-43(46)37-34-31-28-25-17-14-11-8-5-2/h19-22,42H,4-18,23-41H2,1-3H3/b20-19+,22-21+/t42-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O

References

Other Databases