In-Silico Structure Database (LMISSD)

Common Name
TG(34:0/16:0/17:2(9Z,12Z))
Systematic Name
1-tetratriacontanoyl-2-hexadecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL0301KN3W
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)
YYYJAHZOUGFSRD-QPVDLYIESA-N
InChi (Click to copy)
InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-46-48-51-54-57-60-63-69(72)75-66-67(76-70(73)64-61-58-55-52-49-44-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-45-26-23-20-17-14-11-8-5-2/h14,17,23,26,67H,4-13,15-16,18-22,24-25,27-66H2,1-3H3/b17-14-,26-23-/t67-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases