In-Silico Structure Database (LMISSD)

Common Name
DG(P-14:0/18:1(9Z)/0:0)
Systematic Name
1-(1Z-tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerol
LM ID
LMGL02040001
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
550.496110
Formula
C35H66O4
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]
Diradylglycerols [GL02]
1Z-alkenylacylglycerols [GL0204]

String Representations

InChiKey (Click to copy)
JIVLVDABBQIAOL-RDUBIJJSSA-N
InChi (Click to copy)
InChI=1S/C35H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,29,31,34,36H,3-16,19-28,30,32-33H2,1-2H3/b18-17-,31-29-/t34-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC

References

Other Databases

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 641.30
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 11.63
Molar Refractivity 169.46