In-Silico Structure Database (LMISSD)

Common Name
TG(39:0/22:4(7Z,10Z,13Z,16Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-nonatriacontanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL0301LHQG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1309.190190
Formula
C88H156O6
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)
ZKPUSUJZZCCDGT-GYFHWYMQSA-N
InChi (Click to copy)
InChI=1S/C88H156O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-55-57-60-63-66-69-72-75-78-81-87(90)93-84-85(94-88(91)82-79-76-73-70-67-64-61-58-53-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-54-51-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,29-30,32,51,53-54,58-59,62,64,67-68,71,85H,4-17,19-20,22-26,28,31,33-50,52,55-57,60-61,63,65-66,69-70,72-84H2,1-3H3/b21-18-,30-27-,32-29-,54-51-,58-53-,62-59-,67-64-,71-68-/t85-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases