In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(11Z)/18:3(6Z,9Z,12Z)/38:0)
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL030492Z2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1147.085725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
XEZURDMQQXNNMI-HLSYNDHHSA-N
InChi (Click to copy)
InChI=1S/C77H142O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-50-52-55-58-61-64-67-70-76(78)81-74-75(73-80-72-69-66-63-60-57-54-51-29-26-23-20-17-14-11-8-5-2)82-77(79)71-68-65-62-59-56-53-49-27-24-21-18-15-12-9-6-3/h18,20-21,23,27,49,56,59,69,72,75H,4-17,19,22,24-26,28-48,50-55,57-58,60-68,70-71,73-74H2,1-3H3/b21-18-,23-20-,49-27-,59-56-,72-69-/t75-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC