In-Silico Structure Database (LMISSD)
Common Name
TG(15:0/20:4(5E,8E,11E,14E)/13:0)
Systematic Name
1-pentadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-3-tridecanoyl-sn-glycerol
LM ID
LMGL030198ZZ
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)
HCMNBDUUTHLPSE-OIFWMJBUSA-N
InChi (Click to copy)
InChI=1S/C51H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,33,36,48H,4-15,17-18,20-23,26,29-32,34-35,37-47H2,1-3H3/b19-16+,25-24+,28-27+,36-33+/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COC(CCCCCCCCCCCCCC)=O