In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(9Z)/18:4(9E,11E,13E,15E)/18:2(2E,4E))
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03049SC4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.694475
Formula
C55H92O5
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)
PXOMICFMRYNVJJ-JQVWSCPCSA-N
InChi (Click to copy)
InChI=1S/C55H92O5/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-54(56)59-52-53(51-58-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)60-55(57)49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,14,17,20-21,23-24,26,29,39,42,45,47-48,50,53H,4-7,9-10,12-13,15-16,18-19,22,25,27-28,30-38,40-41,43-44,46,49,51-52H2,1-3H3/b11-8+,17-14+,23-20+,24-21-,29-26+,42-39+,48-45-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)CO/C=C\CCCCCC/C=C\CCCCCC

References

Other Databases