In-Silico Structure Database (LMISSD)

Common Name
TG(P-22:1(11Z)/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(1Z,11Z-docosenyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0304A0KA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.788375
Formula
C63H104O5
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)
UGXHMLUBJGJMJA-VHPRODPWSA-N
InChi (Click to copy)
InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-58-66-59-61(60-67-62(64)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29-31,35-36,39,41,44-45,48,55,58,61H,4-8,10-11,13-16,19,22-25,28,32-34,37-38,40,42-43,46-47,49-54,56-57,59-60H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,31-30-,35-27-,39-36-,44-41-,48-45-,58-55-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC

References

Other Databases