In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(11Z)/22:4(7Z,10Z,13Z,16Z)/34:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL03049OHY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1117.038775
Formula
C75H136O5
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)
UAAZZBKXQVKODR-PVKABKKXSA-N
InChi (Click to copy)
InChI=1S/C75H136O5/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-39-40-41-42-43-45-46-48-50-53-56-59-62-65-68-74(76)79-72-73(71-78-70-67-64-61-58-55-52-27-24-21-18-15-12-9-6-3)80-75(77)69-66-63-60-57-54-51-49-47-44-31-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,26,29,44,47,51,54,67,70,73H,4-14,16,19,21-25,27-28,30-43,45-46,48-50,52-53,55-66,68-69,71-72H2,1-3H3/b18-15-,20-17-,29-26-,47-44-,54-51-,70-67-/t73-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases