In-Silico Structure Database (LMISSD)

Common Name
DG(18:3(9Z,12Z,15Z)/12:0/0:0)
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-dodecanoyl-sn-glycerol
LM ID
LMGL02019B9T
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)
VUBGYGSKHIDFLR-RZPBQJGJSA-N
InChi (Click to copy)
InChI=1S/C33H58O5/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-27-32(35)37-30-31(29-34)38-33(36)28-26-24-22-19-12-10-8-6-4-2/h5,7,11,13,15-16,31,34H,3-4,6,8-10,12,14,17-30H2,1-2H3/b7-5-,13-11-,16-15-/t31-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases