In-Silico Structure Database (LMISSD)

Common Name
TG(15:0/34:0/18:4(9E,11E,13E,15E))
Systematic Name
1-pentadecanoyl-2-tetratriacontanoyl-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301AA4W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1064.971090
Formula
C70H128O6
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)
MYLGDGWHIOEHHW-OBNJHIHHSA-N
InChi (Click to copy)
InChI=1S/C70H128O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-49-52-55-58-61-64-70(73)76-67(65-74-68(71)62-59-56-53-50-47-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-43-26-23-20-17-14-11-8-5-2/h8,11,14,17,20,23,26,43,67H,4-7,9-10,12-13,15-16,18-19,21-22,24-25,27-42,44-66H2,1-3H3/b11-8+,17-14+,23-20+,43-26+/t67-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCC)=O

References

Other Databases