In-Silico Structure Database (LMISSD)
Common Name
DG(O-16:0/18:1(9Z)/0:0)
Systematic Name
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycerol
LM ID
LMGL02020001
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
580.543060
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
1-alkyl,2-acylglycerols [GL0202]
String Representations
InChiKey (Click to copy)
ZDRGKGZHXIWXJD-MEVCPPAWSA-N
InChi (Click to copy)
InChI=1S/C37H72O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-36(34-38)35-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,36,38H,3-16,18,20-35H2,1-2H3/b19-17-/t36-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCCCCCCCCCC
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
35
Van der Waals Molecular Volume
678.54
Topological Polar Surface Area
55.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
12.57
Molar Refractivity
179.53