In-Silico Structure Database (LMISSD)

Common Name
DG(O-14:0/18:3(9Z,12Z,15Z)/0:0)
Systematic Name
1-tetradecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL02029AA5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
548.480460
Formula
C35H64O4
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]
1-alkyl,2-acylglycerols [GL0202]

String Representations

InChiKey (Click to copy)
ZYIDEMNMPAPESS-QECOYPFHSA-N
InChi (Click to copy)
InChI=1S/C35H64O4/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/h5,7,11,13,17-18,34,36H,3-4,6,8-10,12,14-16,19-33H2,1-2H3/b7-5-,13-11-,18-17-/t34-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)COCCCCCCCCCCCCCC

References

Other Databases