In-Silico Structure Database (LMISSD)

Common Name
SQDG(34:0/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-tetratriacontanoyl,2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019PV2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1122.834402
Formula
C65H118O12S
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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)
YLCLYQQNJQZQJR-HVFTZRCHSA-N
InChi (Click to copy)
InChI=1S/C65H118O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-49-51-53-60(66)74-55-58(56-75-65-64(70)63(69)62(68)59(77-65)57-78(71,72)73)76-61(67)54-52-50-48-46-44-42-40-38-35-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,35,38,42,44,58-59,62-65,68-70H,3-11,13,15-17,19,21-34,36-37,39-41,43,45-57H2,1-2H3,(H,71,72,73)/b14-12-,20-18-,38-35-,44-42-/t58-,59-,62-,63?,64?,65-/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(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases