In-Silico Structure Database (LMISSD)

Common Name
DG(18:2(9Z,12Z)/26:2(5Z,9E)/0:0)
Systematic Name
1-(9Z,12Z-octadecadienoyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL02019B61
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
728.631875
Formula
C47H84O5
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)
METONRQCQHRRHQ-BHRBSCIESA-N
InChi (Click to copy)
InChI=1S/C47H84O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(50)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h12,14,18,26-28,34,36,45,48H,3-11,13,15-17,19-25,29-33,35,37-44H2,1-2H3/b14-12-,27-18-,28-26+,36-34-/t45-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCCC)=O

References

Other Databases