In-Silico Structure Database (LMISSD)

Common Name
TG(P-16:1(9Z)/33:0/34:0)
Systematic Name
1-(1Z,9Z-hexadecadienyl)-2-tritriacontanoyl-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL03049U5Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1279.273525
Formula
C86H166O5
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)
QAQCEKDTZMQUEI-LRFOZHOWSA-N
InChi (Click to copy)
InChI=1S/C86H166O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-49-51-53-55-57-59-61-64-67-70-73-76-79-85(87)90-83-84(82-89-81-78-75-72-69-66-63-27-24-21-18-15-12-9-6-3)91-86(88)80-77-74-71-68-65-62-60-58-56-54-52-50-48-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h21,24,78,81,84H,4-20,22-23,25-77,79-80,82-83H2,1-3H3/b24-21-,81-78-/t84-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCC/C=C\CCCCCC

References

Other Databases