In-Silico Structure Database (LMISSD)

Common Name
DG(16:1(9Z)/16:1(9Z)/0:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL02010011
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
564.475375
Formula
C35H64O5
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)
HSQHRRHRYJNSOC-DWCRPSDDSA-N
InChi (Click to copy)
InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13-,16-14-/t33-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 647.45
Topological Polar Surface Area 72.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 10.80
Molar Refractivity 169.85