In-Silico Structure Database (LMISSD)

Common Name
SQDG(36:0/18:4(9E,11E,13E,15E))
Systematic Name
1-hexatriacontanoyl,2-(9E,11E,13E,15E-octadecatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019PZ2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1094.803102
Formula
C63H114O12S
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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)
HHBITYJCBLERRT-LSGHVWRDSA-N
InChi (Click to copy)
InChI=1S/C63H114O12S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-39-41-43-45-47-49-51-58(64)72-53-56(54-73-63-62(68)61(67)60(66)57(75-63)55-76(69,70)71)74-59(65)52-50-48-46-44-42-40-37-18-16-14-12-10-8-6-4-2/h6,8,10,12,14,16,18,37,56-57,60-63,66-68H,3-5,7,9,11,13,15,17,19-36,38-55H2,1-2H3,(H,69,70,71)/b8-6+,12-10+,16-14+,37-18+/t56-,57-,60-,61?,62?,63-/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(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases