In-Silico Structure Database (LMISSD)

Common Name
DG(18:2(2E,4E)/0:0/17:1(9Z))
Systematic Name
1-(2E,4E-octadecadienoyl)-3-(9Z-heptadecenoyl)-sn-glycerol
LM ID
LMGL02019G5B
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
604.506675
Formula
C38H68O5
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)
QVNAJZYXBNFPLT-UNTZJLLJSA-N
InChi (Click to copy)
InChI=1S/C38H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-36(39)34-42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,27,29,31,33,36,39H,3-15,17,19-26,28,30,32,34-35H2,1-2H3/b18-16-,29-27+,33-31+/t36-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCCC)[C@]([H])(O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O

References

Other Databases