In-Silico Structure Database (LMISSD)

Common Name
SQDG(36:0/34:0)
Systematic Name
1-hexatriacontanoyl,2-tetratriacontanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P1A
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1327.116102
Formula
C79H154O12S
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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]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]

String Representations

InChiKey (Click to copy)
XOAMKQDAJQUNOW-UISFUSJXSA-N
InChi (Click to copy)
InChI=1S/C79H154O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-74(80)88-69-72(70-89-79-78(84)77(83)76(82)73(91-79)71-92(85,86)87)90-75(81)68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h72-73,76-79,82-84H,3-71H2,1-2H3,(H,85,86,87)/t72-,73-,76-,77?,78?,79-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CS(=O)(O)=O)[C@@H](O)C(O)C1O)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases