In-Silico Structure Database (LMISSD)

Common Name
TG(18:4(9E,11E,13E,15E)/38:0/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-octatriacontanoyl-3-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301EAW8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1183.049340
Formula
C79H138O6
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)
WOSUTIKXINTHOP-FNFAWQNUSA-N
InChi (Click to copy)
InChI=1S/C79H138O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-49-52-55-58-61-64-67-70-73-79(82)85-76(74-83-77(80)71-68-65-62-59-56-53-50-27-24-21-18-15-12-9-6-3)75-84-78(81)72-69-66-63-60-57-54-51-48-29-26-23-20-17-14-11-8-5-2/h9,12,15,18,20-21,23-24,26-27,29,50-51,54,60,63,76H,4-8,10-11,13-14,16-17,19,22,25,28,30-49,52-53,55-59,61-62,64-75H2,1-3H3/b12-9+,18-15+,23-20+,24-21+,29-26-,50-27+,54-51-,63-60-/t76-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O

References

Other Databases