In-Silico Structure Database (LMISSD)

Common Name
SQDG(39:0/21:0)
Systematic Name
1-nonatriacontanoyl,2-heneicosanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P7H
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1186.959602
Formula
C69H134O12S
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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)
SLZAGSSETOCGSA-TYISBHFYSA-N
InChi (Click to copy)
InChI=1S/C69H134O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-64(70)78-59-62(60-79-69-68(74)67(73)66(72)63(81-69)61-82(75,76)77)80-65(71)58-56-54-52-50-48-46-44-41-22-20-18-16-14-12-10-8-6-4-2/h62-63,66-69,72-74H,3-61H2,1-2H3,(H,75,76,77)/t62-,63-,66-,67?,68?,69-/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(CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases