In-Silico Structure Database (LMISSD)
Common Name
DG(12:0/18:2(9Z,12Z)/0:0)
Systematic Name
1-dodecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL02010337
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
536.444075
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]
String Representations
InChiKey (Click to copy)
STQYAPOZIUJNAD-IZQILMHSSA-N
InChi (Click to copy)
InChI=1S/C33H60O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,31,34H,3-10,12,14,17-30H2,1-2H3/b13-11-,16-15-/t31-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
612.85
Topological Polar Surface Area
72.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
10.02
Molar Refractivity
160.62