In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(11Z)/20:4(7E,10E,13E,16E)/20:3(8Z,11Z,14Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL03049N26
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
886.741425
Formula
C59H98O5
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)
NSLBEDJWFSRPQB-ZMSDXAKVSA-N
InChi (Click to copy)
InChI=1S/C59H98O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)64-59(61)53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h11,14-16,18-20,23,25,28-29,31-32,34-35,38,51,54,57H,4-10,12-13,17,21-22,24,26-27,30,33,36-37,39-50,52-53,55-56H2,1-3H3/b14-11+,18-15-,19-16-,23-20+,28-25-,31-29+,34-32-,38-35+,54-51-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases