In-Silico Structure Database (LMISSD)
Common Name
TG(13:0/15:0/19:0)
Systematic Name
1-tridecanoyl-2-pentadecanoyl-3-nonadecanoyl-sn-glycerol
LM ID
LMGL03013743
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
792.720690
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VLXHIDMUFFBMNC-QZNUWAOFSA-N
InChi (Click to copy)
InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
56
Rings
0
Aromatic Rings
0
Rotatable Bonds
49
Van der Waals Molecular Volume
918.38
Topological Polar Surface Area
78.90
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
logP
16.89
Molar Refractivity
239.61