In-Silico Structure Database (LMISSD)
Common Name
TG(15:1(9Z)/17:2(9Z,12Z)/15:0)
Systematic Name
1-(9Z-pentadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-3-pentadecanoyl-sn-glycerol
LM ID
LMGL0301ACBY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
786.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GKHYVKUBUSWMEA-LWULLHRQSA-N
InChi (Click to copy)
InChI=1S/C50H90O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-33-30-27-23-20-17-14-11-8-5-2)46-55-49(52)43-40-37-34-31-28-24-21-18-15-12-9-6-3/h13,16-17,20,22,25,47H,4-12,14-15,18-19,21,23-24,26-46H2,1-3H3/b16-13-,20-17-,25-22-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O