In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(11Z)/20:4(5E,8E,11E,14E)/17:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL03049NQS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
848.725775
Formula
C56H96O5
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)
UZWQKSMLLOZXNT-CRWBYQQJSA-N
InChi (Click to copy)
InChI=1S/C56H96O5/c1-4-7-10-13-16-19-22-25-28-29-30-32-35-38-41-44-47-50-56(58)61-54(52-59-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)53-60-55(57)49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h15-16,18-19,23,25-26,28,30,32,38,41,48,51,54H,4-14,17,20-22,24,27,29,31,33-37,39-40,42-47,49-50,52-53H2,1-3H3/b18-15-,19-16+,26-23-,28-25+,32-30+,41-38+,51-48-/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases