In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(11Z)/20:4(5Z,8Z,11Z,14Z)/26:2(5E,9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL03049NY8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
972.850975
Formula
C65H112O5
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)
WXGZKYLJGHRXPG-NTTNRBQYSA-N
InChi (Click to copy)
InChI=1S/C65H112O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-37-38-40-43-46-49-52-55-58-64(66)69-62-63(61-68-60-57-54-51-48-45-42-27-24-21-18-15-12-9-6-3)70-65(67)59-56-53-50-47-44-41-39-36-29-26-23-20-17-14-11-8-5-2/h15,17-18,20,26,29,37-39,41,46-47,49-50,57,60,63H,4-14,16,19,21-25,27-28,30-36,40,42-45,48,51-56,58-59,61-62H2,1-3H3/b18-15-,20-17-,29-26-,38-37-,41-39-,49-46+,50-47-,60-57-/t63-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCC

References

Other Databases