In-Silico Structure Database (LMISSD)

Common Name
TG(18:3(9Z,12Z,15Z)/30:0/24:1(15Z))
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-triacontanoyl-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL0301DZSI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1135.049340
Formula
C75H138O6
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)
QTELUWQRNVDIIA-FCDYYVBNSA-N
InChi (Click to copy)
InChI=1S/C75H138O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-43-45-48-51-54-57-60-63-66-69-75(78)81-72(70-79-73(76)67-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3)71-80-74(77)68-65-62-59-56-53-50-47-44-42-40-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,46,72H,4-8,10-11,13-17,19-20,22-25,28,30-45,47-71H2,1-3H3/b12-9-,21-18-,29-26-,46-27-/t72-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases