In-Silico Structure Database (LMISSD)

Common Name
SQDG(39:0/26:2(5Z,9Z))
Systematic Name
1-nonatriacontanoyl,2-(5Z,9Z-hexacosadienoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P7Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1253.006552
Formula
C74H140O12S
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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)
SHLYSLPYXFSNOA-GVOYOEMQSA-N
InChi (Click to copy)
InChI=1S/C74H140O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-69(75)83-64-67(65-84-74-73(79)72(78)71(77)68(86-74)66-87(80,81)82)85-70(76)63-61-59-57-55-53-51-49-47-45-43-40-26-24-22-20-18-16-14-12-10-8-6-4-2/h47,49,55,57,67-68,71-74,77-79H,3-46,48,50-54,56,58-66H2,1-2H3,(H,80,81,82)/b49-47-,57-55-/t67-,68-,71-,72?,73?,74-/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(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases