In-Silico Structure Database (LMISSD)

Common Name
SQDG(37:0/36:0)
Systematic Name
1-heptatriacontanoyl,2-hexatriacontanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P3N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1369.163052
Formula
C82H160O12S
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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)
DDKSYDPNHBNTOE-CGLYRQQBSA-N
InChi (Click to copy)
InChI=1S/C82H160O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-42-44-46-48-50-52-54-56-58-60-62-64-66-68-70-77(83)91-72-75(73-92-82-81(87)80(86)79(85)76(94-82)74-95(88,89)90)93-78(84)71-69-67-65-63-61-59-57-55-53-51-49-47-45-43-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75-76,79-82,85-87H,3-74H2,1-2H3,(H,88,89,90)/t75-,76-,79-,80?,81?,82-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases