In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(9E,11E,13E,15E)/34:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-tetratriacontanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301EANM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1098.955440
Formula
C73H126O6
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)
RQYRKWONAWBYMB-JMEIIFINSA-N
InChi (Click to copy)
InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-46-49-52-55-58-61-64-67-73(76)79-70(68-77-71(74)65-62-59-56-53-50-47-44-26-23-20-17-14-11-8-5-2)69-78-72(75)66-63-60-57-54-51-48-45-27-24-21-18-15-12-9-6-3/h8-9,11-12,14,17-18,20-21,23,26-27,44-45,51,54,70H,4-7,10,13,15-16,19,22,24-25,28-43,46-50,52-53,55-69H2,1-3H3/b11-8+,12-9-,17-14+,21-18-,23-20+,44-26+,45-27-,54-51-/t70-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O

References

Other Databases