In-Silico Structure Database (LMISSD)

Common Name
TG(14:1(9Z)/20:1(11E)/33:0)
Systematic Name
1-(9Z-tetradecenoyl)-2-(11E-eicosenoyl)-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL03019277
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1069.002390
Formula
C70H132O6
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)
LZIPYAXTZUYKLI-JVJMPPFGSA-N
InChi (Click to copy)
InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-48-51-54-57-60-63-69(72)75-66-67(65-74-68(71)62-59-56-53-50-47-21-18-15-12-9-6-3)76-70(73)64-61-58-55-52-49-46-44-41-27-25-23-20-17-14-11-8-5-2/h15,18,25,27,67H,4-14,16-17,19-24,26,28-66H2,1-3H3/b18-15-,27-25+/t67-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases