In-Silico Structure Database (LMISSD)

Common Name
DG(O-14:0/18:4(9E,11E,13E,15E)/0:0)
Systematic Name
1-tetradecyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL02029AA7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
546.464810
Formula
C35H62O4
Predict MS/MS spectrum ([M+NH4]+)
Download as...
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)
MLLXPBIACMDPBX-RCXVKQGASA-N
InChi (Click to copy)
InChI=1S/C35H62O4/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/h5,7,9,11,13,15,17-18,34,36H,3-4,6,8,10,12,14,16,19-33H2,1-2H3/b7-5+,11-9+,15-13+,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