In-Silico Structure Database (LMISSD)
Common Name
TG(P-18:1(9Z)/14:0/17:2(9Z,12Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-tetradecanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL030496WP
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)
CQIHYOUDVIBSBO-BPNLWOFASA-N
InChi (Click to copy)
InChI=1S/C52H94O5/c1-4-7-10-13-16-19-22-24-26-27-29-32-35-38-41-44-47-55-48-50(57-52(54)46-43-40-37-34-30-21-18-15-12-9-6-3)49-56-51(53)45-42-39-36-33-31-28-25-23-20-17-14-11-8-5-2/h14,17,23-26,44,47,50H,4-13,15-16,18-22,27-43,45-46,48-49H2,1-3H3/b17-14-,25-23-,26-24-,47-44-/t50-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC