In-Silico Structure Database (LMISSD)

Common Name
TG(P-18:0/20:4(6E,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(1Z-octadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL03049YNZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
940.788375
Formula
C63H104O5
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)
HJCFWGTYGFSPEE-AJPGYRLMSA-N
InChi (Click to copy)
InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-35-38-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,32,34,36,38-39,41-42,45,55,58,61H,4-6,8-9,11-15,18,21-24,27,30-31,33,35,37,40,43-44,46-54,56-57,59-60H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,34-32-,39-36-,41-38-,45-42+,58-55-/t61-/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(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC

References

Other Databases