In-Silico Structure Database (LMISSD)

Common Name
TG(10:0/18:2(6Z,9Z)/31:0)
Systematic Name
1-decanoyl-2-(6Z,9Z-octadecadienoyl)-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL03019BXZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.877190
Formula
C62H116O6
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)
NVXFJCNHMJCBAW-AIKRCYNGSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-15-12-9-6-3)68-62(65)56-53-50-47-44-42-40-37-23-21-19-17-14-11-8-5-2/h23,37,42,44,59H,4-22,24-36,38-41,43,45-58H2,1-3H3/b37-23-,44-42-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases