In-Silico Structure Database (LMISSD)
Common Name
TG(P-14:0/18:2(9E,12E)/17:1(9Z))
Systematic Name
2-(9E,12E-octadecadienoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL03049B0V
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)
VDJLVUVTXJJWCP-NAJIHUMVSA-N
InChi (Click to copy)
InChI=1S/C52H94O5/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(54)57-50(48-55-47-44-41-38-35-32-24-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h16,19,23,25-27,44,47,50H,4-15,17-18,20-22,24,28-43,45-46,48-49H2,1-3H3/b19-16+,26-23-,27-25+,47-44-/t50-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)CO/C=C\CCCCCCCCCCCC