In-Silico Structure Database (LMISSD)

Common Name
SQDG(39:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-nonatriacontanoyl,2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P7T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1220.943952
Formula
C72H132O12S
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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)
VCKXGYSNSKLGJI-RFBGNXDSSA-N
InChi (Click to copy)
InChI=1S/C72H132O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-67(73)81-62-65(63-82-72-71(77)70(76)69(75)66(84-72)64-85(78,79)80)83-68(74)61-59-57-55-53-51-49-47-45-43-40-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,40,43,47,49,53,55,65-66,69-72,75-77H,3-19,21,23-39,41-42,44-46,48,50-52,54,56-64H2,1-2H3,(H,78,79,80)/b22-20-,43-40-,49-47-,55-53-/t65-,66-,69-,70?,71?,72-/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\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases