In-Silico Structure Database (LMISSD)
Common Name
TG(20:5(5Z,8Z,11Z,14Z,17Z)/14:0/14:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-tetradecanoyl-3-tetradecanoyl-sn-glycerol
LM ID
LMGL0301GOBO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
796.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
XVZKEWCRXPFBME-IIEAYGHVSA-N
InChi (Click to copy)
InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,32,35,48H,4-6,8-9,11-15,17-18,20-22,25,28-31,33-34,36-47H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,35-32-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O