In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5Z,8Z,11Z,14Z)/24:4(5Z,8Z,11Z,14Z)/28:0)
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-octacosanoyl-sn-glycerol
LM ID
LMGL0301GB7H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1126.986740
Formula
C75H130O6
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)
HORNWWLKPRLUPQ-GNVBONOHSA-N
InChi (Click to copy)
InChI=1S/C75H130O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-36-37-38-40-41-44-47-50-53-56-59-62-65-68-74(77)80-71-72(70-79-73(76)67-64-61-58-55-52-49-46-43-30-27-24-21-18-15-12-9-6-3)81-75(78)69-66-63-60-57-54-51-48-45-42-39-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,29-30,32,39,42,46,48-49,51,55,57-58,60,72H,4-17,19-20,22-26,28,31,33-38,40-41,43-45,47,50,52-54,56,59,61-71H2,1-3H3/b21-18-,30-27-,32-29-,42-39-,49-46-,51-48-,58-55-,60-57-/t72-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases