In-Silico Structure Database (LMISSD)

Common Name
DG(12:0/18:3(6Z,9Z,12Z)/0:0)
Systematic Name
1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL02019AFQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
534.428425
Formula
C33H58O5
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)
YLRYJVYVXUJGIE-UNLWIWDGSA-N
InChi (Click to copy)
InChI=1S/C33H58O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(36)38-31(29-34)30-37-32(35)27-25-23-21-19-12-10-8-6-4-2/h11,13,15-16,18,20,31,34H,3-10,12,14,17,19,21-30H2,1-2H3/b13-11-,16-15-,20-18-/t31-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCC)=O

References

Other Databases