In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/25:0/18:2(2E,4E))
Systematic Name
1-hexadecyl-2-pentacosanoyl-3-(2E,4E-octadecadienoyl)-sn-glycerol
LM ID
LMGL03029JPV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
942.897925
Formula
C62H118O5
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]
Alkyldiacylglycerols [GL0302]

String Representations

InChiKey (Click to copy)
DZPOYSNOZGMGCD-RINSOZJUSA-N
InChi (Click to copy)
InChI=1S/C62H118O5/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-36-38-41-44-47-50-53-56-62(64)67-60(58-65-57-54-51-48-45-42-39-27-24-21-18-15-12-9-6-3)59-66-61(63)55-52-49-46-43-40-37-35-26-23-20-17-14-11-8-5-2/h46,49,52,55,60H,4-45,47-48,50-51,53-54,56-59H2,1-3H3/b49-46+,55-52-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)/C=C\C=C\CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases