In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/18:1(9Z)/18:4(9E,11E,13E,15E))
Systematic Name
1-tridecanoyl-2-(9Z-octadecenoyl)-3-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL03019RQB
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
810.673740
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AHKVFSIFLKFCTK-AGQPEDQESA-N
InChi (Click to copy)
InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,13,16,19,22,24-27,49H,4-6,8-9,11-12,14-15,17-18,20-21,23,28-48H2,1-3H3/b10-7+,16-13+,22-19+,26-24+,27-25-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCC)=O