In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:0/18:3(9Z,12Z,15Z)/13:0)
Systematic Name
1-(1Z-octadecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL03049XJA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.710125
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
SRAMNAGRFAVUPL-KOGLDVFISA-N
InChi (Click to copy)
InChI=1S/C52H94O5/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-55-48-50(49-56-51(53)45-42-39-36-33-21-18-15-12-9-6-3)57-52(54)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,44,47,50H,4-7,9-10,12-16,18-19,21-24,26,28-43,45-46,48-49H2,1-3H3/b11-8-,20-17-,27-25-,47-44-/t50-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCCCCCC