In-Silico Structure Database (LMISSD)

Common Name
DG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0)
Systematic Name
1-pentadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL02010440
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
602.491025
Formula
C38H66O5
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]

String Representations

InChiKey (Click to copy)
ATYAOFUCOSYTLI-QKTVEPRCSA-N
InChi (Click to copy)
InChI=1S/C38H66O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,36,39H,3-10,12,14-16,19,22-24,26,28-35H2,1-2H3/b13-11-,18-17-,21-20-,27-25-/t36-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 694.07
Topological Polar Surface Area 72.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 11.53
Molar Refractivity 183.52