In-Silico Structure Database (LMISSD)

Common Name
TG(32:0/18:2(6Z,9Z)/33:0)
Systematic Name
1-dotriacontanoyl-2-(6Z,9Z-octadecadienoyl)-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL0301KEL4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1293.252790
Formula
C86H164O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
AGZXZYRULKIHFH-WQMQUBKTSA-N
InChi (Click to copy)
InChI=1S/C86H164O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-48-50-52-54-56-59-61-64-67-70-73-76-79-85(88)91-82-83(92-86(89)80-77-74-71-68-65-62-57-27-24-21-18-15-12-9-6-3)81-90-84(87)78-75-72-69-66-63-60-58-55-53-51-49-47-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h27,57,65,68,83H,4-26,28-56,58-64,66-67,69-82H2,1-3H3/b57-27-,68-65-/t83-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases