In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(9E,11E,13E,15E)/12:0/17:1(9Z))
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-dodecanoyl-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL0301D5T5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
WQMTWBDJKPJLTJ-IGBOLDCYSA-N
InChi (Click to copy)
InChI=1S/C50H86O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-49(52)55-46-47(56-50(53)44-41-38-35-30-18-15-12-9-6-3)45-54-48(51)42-39-36-33-31-28-26-24-22-20-17-14-11-8-5-2/h7,10,13,16,19,21-25,47H,4-6,8-9,11-12,14-15,17-18,20,26-46H2,1-3H3/b10-7+,16-13+,21-19+,24-22-,25-23+/t47-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O