In-Silico Structure Database (LMISSD)

Common Name
TG(39:0/24:4(5Z,8Z,11Z,14Z)/26:2(5Z,9E))
Systematic Name
1-nonatriacontanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301LH81
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1369.284090
Formula
C92H168O6
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)
VELUWYZHCPRKMO-UUAJCGFVSA-N
InChi (Click to copy)
InChI=1S/C92H168O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-40-41-42-43-44-45-46-47-48-49-50-51-53-56-58-61-64-67-70-73-76-79-82-85-91(94)97-88-89(98-92(95)86-83-80-77-74-71-68-65-62-59-54-36-33-30-27-24-21-18-15-12-9-6-3)87-96-90(93)84-81-78-75-72-69-66-63-60-57-55-52-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,54,59-60,63,65,68,72,74-75,77,89H,4-29,31-32,34-53,55-58,61-62,64,66-67,69-71,73,76,78-88H2,1-3H3/b33-30-,59-54-,63-60+,68-65-,75-72-,77-74-/t89-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases