In-Silico Structure Database (LMISSD)

Common Name
SQDG(38:0/12:0)
Systematic Name
1-octatriacontanoyl,2-dodecanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P3T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1046.803102
Formula
C59H114O12S
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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)
FHEPAVBTZFAJFI-YLKHIYSRSA-N
InChi (Click to copy)
InChI=1S/C59H114O12S/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-54(60)68-49-52(70-55(61)48-46-44-42-39-12-10-8-6-4-2)50-69-59-58(64)57(63)56(62)53(71-59)51-72(65,66)67/h52-53,56-59,62-64H,3-51H2,1-2H3,(H,65,66,67)/t52-,53-,56-,57?,58?,59-/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(CCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases