In-Silico Structure Database (LMISSD)

Common Name
SQDG(39:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-nonatriacontanoyl,2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P7M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1190.897002
Formula
C70H126O12S
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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)
KFGKRKRIDXHWQY-PNDVWBRPSA-N
InChi (Click to copy)
InChI=1S/C70H126O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-65(71)79-60-63(61-80-70-69(75)68(74)67(73)64(82-70)62-83(76,77)78)81-66(72)59-57-55-53-51-49-47-45-43-40-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,40,43,47,49,53,55,63-64,67-70,73-75H,3-11,13,15-17,19,21-39,41-42,44-46,48,50-52,54,56-62H2,1-2H3,(H,76,77,78)/b14-12-,20-18-,43-40-,49-47-,55-53-/t63-,64-,67-,68?,69?,70-/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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases