In-Silico Structure Database (LMISSD)

Common Name
MG(0:0/20:4(5Z,8Z,11Z,14Z)/0:0)
Systematic Name
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL01010023
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
378.277010
Formula
C23H38O4
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Monoradylglycerols [GL01]
Monoacylglycerols [GL0101]

String Representations

InChiKey (Click to copy)
RCRCTBLIHCHWDZ-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 428.42
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.88
Molar Refractivity 113.95