In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(11Z)/20:3(8Z,11Z,14Z)/24:1(15Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL03049NPV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
948.850975
Formula
C63H112O5
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)
MCUPERBJDAVWLM-DYBAJIDTSA-N
InChi (Click to copy)
InChI=1S/C63H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-36-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,25-26,28-29,37,39,55,58,61H,4-14,16,19,21-24,27,30-36,38,40-54,56-57,59-60H2,1-3H3/b18-15-,20-17-,28-25-,29-26-,39-37-,58-55-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases