In-Silico Structure Database (LMISSD)

Common Name
TG(P-14:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycerol
LM ID
LMGL03049DZG
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)
XCSMLCHDNLVNAS-YZNSQDJMSA-N
InChi (Click to copy)
InChI=1S/C63H104O5/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-39-41-44-47-50-53-56-62(64)67-60-61(59-66-58-55-52-49-46-43-24-21-18-15-12-9-6-3)68-63(65)57-54-51-48-45-42-40-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26-29,32-34,36-37,39-40,42,44,47,55,58,61H,4-7,9-10,12-16,18-19,21-25,30-31,35,38,41,43,45-46,48-54,56-57,59-60H2,1-3H3/b11-8-,20-17-,28-26-,29-27-,34-32-,36-33-,39-37-,42-40-,47-44-,58-55-/t61-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCCCCCC

References

Other Databases