In-Silico Structure Database (LMISSD)

Common Name
TG(P-14:0/12:0/20:3(5Z,8Z,11Z))
Systematic Name
2-dodecanoyl-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL03049AF2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
756.663175
Formula
C49H88O5
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]
1Z-alkenyldiacylglycerols [GL0304]

String Representations

InChiKey (Click to copy)
JIRVLBOIEAECHU-PETJKQJMSA-N
InChi (Click to copy)
InChI=1S/C49H88O5/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-31-33-36-39-42-48(50)53-46-47(54-49(51)43-40-37-34-30-18-15-12-9-6-3)45-52-44-41-38-35-32-29-22-20-17-14-11-8-5-2/h23-24,26-27,31,33,41,44,47H,4-22,25,28-30,32,34-40,42-43,45-46H2,1-3H3/b24-23-,27-26-,33-31-,44-41-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC

References

Other Databases