In-Silico Structure Database (LMISSD)

Common Name
TG(P-18:1(11Z)/20:4(7E,10E,13E,16E)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL030494CK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
910.741425
Formula
C61H98O5
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)
CABHCNKDLZQOQK-PDMISCAHSA-N
InChi (Click to copy)
InChI=1S/C61H98O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10-11,14,16,19-21,23-25,28-29,32-33,36-37,40,42,45,53,56,59H,4-6,8-9,12-13,15,17-18,22,26-27,30-31,34-35,38-39,41,43-44,46-52,54-55,57-58H2,1-3H3/b10-7-,14-11+,19-16-,23-20+,24-21-,28-25-,32-29+,36-33-,40-37+,45-42-,56-53-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC

References

Other Databases