In-Silico Structure Database (LMISSD)

Common Name
DG(10:0/18:4(9E,11E,13E,15E)/0:0)
Systematic Name
1-decanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL02019AA7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
504.381475
Formula
C31H52O5
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]
Diacylglycerols [GL0201]

String Representations

InChiKey (Click to copy)
QXTZICGTIAKFPX-QNLKVWKISA-N
InChi (Click to copy)
InChI=1S/C31H52O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(34)36-29(27-32)28-35-30(33)25-23-21-19-10-8-6-4-2/h5,7,9,11-15,29,32H,3-4,6,8,10,16-28H2,1-2H3/b7-5+,11-9+,13-12+,15-14+/t29-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCC)=O

References

Other Databases