In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-heptadecenoyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301A5TP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
938.736340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
SEJHSOFQRCRISU-WZRKGQSQSA-N
InChi (Click to copy)
InChI=1S/C62H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10-11,14,16,19-20,23-24,27-33,37-38,40-41,47,50,59H,4-6,8-9,12-13,15,17-18,21-22,25-26,34-36,39,42-46,48-49,51-58H2,1-3H3/b10-7-,14-11+,19-16-,23-20+,27-24-,30-28+,32-29+,33-31-,40-37+,41-38-,50-47-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O