In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5E,8E,11E,14E)/12:0/16:0)
Systematic Name
1-(5E,8E,11E,14E-eicosatetraenoyl)-2-dodecanoyl-3-hexadecanoyl-sn-glycerol
LM ID
LMGL0301FSA0
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)
RECVCEAOMZAAIM-CKNUIXIWSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-21-23-24-25-26-28-30-33-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-31-18-15-12-9-6-3)46-55-49(52)43-40-37-34-32-29-27-22-20-17-14-11-8-5-2/h16,19,23-24,26,28,33,35,48H,4-15,17-18,20-22,25,27,29-32,34,36-47H2,1-3H3/b19-16+,24-23+,28-26+,35-33+/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O