In-Silico Structure Database (LMISSD)

Common Name
SQDG(37:0/31:0)
Systematic Name
1-heptatriacontanoyl,2-hentriacontanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P3I
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1299.084802
Formula
C77H150O12S
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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)
AGLIYQKNYBRPMO-OMPALXSCSA-N
InChi (Click to copy)
InChI=1S/C77H150O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-72(78)86-67-70(68-87-77-76(82)75(81)74(80)71(89-77)69-90(83,84)85)88-73(79)66-64-62-60-58-56-54-52-50-48-46-44-42-39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h70-71,74-77,80-82H,3-69H2,1-2H3,(H,83,84,85)/t70-,71-,74-,75?,76?,77-/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases