In-Silico Structure Database (LMISSD)

Common Name
DG(22:4(7Z,10Z,13Z,16Z)/24:4(5Z,8Z,11Z,14Z)/0:0)
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL02019DUU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
748.600575
Formula
C49H80O5
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)
BJVISKOMFKLDBH-YUSPVUHNSA-N
InChi (Click to copy)
InChI=1S/C49H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(52)54-47(45-50)46-53-48(51)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,24-27,30-33,36,38,47,50H,3-11,13,15-17,22-23,28-29,34-35,37,39-46H2,1-2H3/b14-12-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,38-36-/t47-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases