In-Silico Structure Database (LMISSD)

O H O O OH
Common Name
DG(O-16:1(11Z)/35:0/0:0)
Systematic Name
1-(11Z-hexadecenyl)-2-pentatriacontanoyl-sn-glycerol
LM ID
LMGL02029AG2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
818.809110
Formula
C54H106O4
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]
Diradylglycerols [GL02]
1-alkyl,2-acylglycerols [GL0202]

String Representations

InChiKey (Click to copy)
BLFZOPFMCKREKL-ANOMXOLRSA-N
InChi (Click to copy)
InChI=1S/C54H106O4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-54(56)58-53(51-55)52-57-50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2/h10,12,53,55H,3-9,11,13-52H2,1-2H3/b12-10-/t53-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC

References

Other Databases