In-Silico Structure Database (LMISSD)

Common Name
TG(14:1(9Z)/20:1(11E)/14:1(9Z))
Systematic Name
1,3-di-(9Z-tetradecenoyl)-2-(11E-eicosenoyl)-sn-glycerol
LM ID
LMGL03019258
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
800.689390
Formula
C51H92O6
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)
IROPKIGXUINUPQ-XCBGQYTASA-N
InChi (Click to copy)
InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2)47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3/h14-15,17-18,23-24,48H,4-13,16,19-22,25-47H2,1-3H3/b17-14-,18-15-,24-23+
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases