In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(5Z,8Z,11Z)/20:4(7E,10E,13E,16E)/20:4(7E,10E,13E,16E))
Systematic Name
1-(5Z,8Z,11Z-eicosatrienoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301FKPS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.751990
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KLHKVRUCEHDBTB-URPJAYLBSA-N
InChi (Click to copy)
InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h10,12-13,15,19,21-22,24,26,28-31,33,35,37-40,42,44,47,60H,4-9,11,14,16-18,20,23,25,27,32,34,36,41,43,45-46,48-59H2,1-3H3/b13-10+,15-12+,22-19+,24-21+,29-26-,31-28+,33-30+,38-35-,40-37+,42-39+,47-44-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O