In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(6Z,9Z,12Z,15Z)/15:1(9Z)/27:0)
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(9Z-pentadecenoyl)-3-heptacosanoyl-sn-glycerol
LM ID
LMGL0301D0VX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
964.845890
Formula
C63H112O6
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]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
RWSZALCMXQTVEU-JXEGRGHZSA-N
InChi (Click to copy)
InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-37-39-42-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-40-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-41-38-36-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26,36,41,43,60H,4-7,9-10,12-16,19,22-25,27-35,37-40,42,44-59H2,1-3H3/b11-8-,20-17-,21-18-,36-26-,43-41-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases