In-Silico Structure Database (LMISSD)

Common Name
TG(10:0/24:1(15Z)/26:2(5Z,9Z))
Systematic Name
1-decanoyl-2-(15Z-tetracosenoyl)-3-(5Z,9Z-hexacosadienoyl)-sn-glycerol
LM ID
LMGL03019EA5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
C63H116O6
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)
HALIUSAJUUROSI-WCQJEAADSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-33-34-36-38-40-42-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-15-12-9-6-3)69-63(66)57-54-51-48-45-43-41-39-37-35-32-29-27-25-23-21-19-17-14-11-8-5-2/h23,25,36,38,44,47,60H,4-22,24,26-35,37,39-43,45-46,48-59H2,1-3H3/b25-23-,38-36-,47-44-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases