In-Silico Structure Database (LMISSD)

Common Name
TG(38:0/20:1(11Z)/34:0)
Systematic Name
1-octatriacontanoyl-2-(11Z-eicosenoyl)-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301LA9Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1421.409290
Formula
C95H184O6
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)
SWRRAWBQDQQEBW-NMKBFIAOSA-N
InChi (Click to copy)
InChI=1S/C95H184O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-46-47-48-50-52-54-56-58-60-62-65-67-70-73-76-79-82-85-88-94(97)100-91-92(101-95(98)89-86-83-80-77-74-71-68-63-30-27-24-21-18-15-12-9-6-3)90-99-93(96)87-84-81-78-75-72-69-66-64-61-59-57-55-53-51-49-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,92H,4-26,28-29,31-91H2,1-3H3/b30-27-/t92-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases