In-Silico Structure Database (LMISSD)
Common Name
TG(16:0/10:0/13:0)
Systematic Name
1-hexadecanoyl-2-decanoyl-3-tridecanoyl-sn-glycerol
LM ID
LMGL0301AGS9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
680.595490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FDMWNLRGOBFDRL-KDXMTYKHSA-N
InChi (Click to copy)
InChI=1S/C42H80O6/c1-4-7-10-13-16-18-20-21-22-24-27-29-32-35-41(44)47-38-39(48-42(45)36-33-30-25-15-12-9-6-3)37-46-40(43)34-31-28-26-23-19-17-14-11-8-5-2/h39H,4-38H2,1-3H3/t39-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O