In-Silico Structure Database (LMISSD)
Common Name
TG(18:3(6Z,9Z,12Z)/15:1(9Z)/15:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-pentadecenoyl)-3-pentadecanoyl-sn-glycerol
LM ID
LMGL0301DP7F
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
798.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
ZDXAELWMNHTAJK-MZRWSSOTSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-29-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-28-23-20-17-14-11-8-5-2/h16,18-19,21,25-26,30,32,48H,4-15,17,20,22-24,27-29,31,33-47H2,1-3H3/b19-16-,21-18-,26-25-,32-30-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O