In-Silico Structure Database (LMISSD)

Common Name
TG(P-20:1(11Z)/39:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-nonatriacontanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0304AMVL
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1241.163975
Formula
C84H152O5
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]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]

String Representations

InChiKey (Click to copy)
NGFXZJWYWJXTJF-REZVNSRWSA-N
InChi (Click to copy)
InChI=1S/C84H152O5/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-52-54-57-60-63-66-69-72-75-78-84(86)89-82(80-87-79-76-73-70-67-64-61-58-55-33-30-27-24-21-18-15-12-9-6-3)81-88-83(85)77-74-71-68-65-62-59-56-53-51-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-27,29-30,51,53,59,62,76,79,82H,4-7,9-10,12-16,18-19,21-25,28,31-50,52,54-58,60-61,63-75,77-78,80-81H2,1-3H3/b11-8-,20-17-,29-26-,30-27-,53-51-,62-59-,79-76-/t82-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC

References

Other Databases