In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/18:4(6Z,9Z,12Z,15Z)/18:4(9E,11E,13E,15E))
Systematic Name
2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL03049CCZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
802.647525
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
HEXUVHLROKSBFI-QISZEXMBSA-N
InChi (Click to copy)
InChI=1S/C53H86O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(54)57-50-51(49-56-48-45-42-39-36-33-24-21-18-15-12-9-6-3)58-53(55)47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,13,16-17,19-20,22,25-28,32,35,45,48,51H,4-6,9,12,14-15,18,21,23-24,29-31,33-34,36-44,46-47,49-50H2,1-3H3/b10-7+,11-8-,16-13+,20-17-,22-19+,27-25+,28-26-,35-32-,48-45-/t51-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCC