In-Silico Structure Database (LMISSD)
Common Name
SQDG(37:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-heptatriacontanoyl,2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P27
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1192.912652
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
VNROTFLWEZHWMJ-ROZOVCHJSA-N
InChi (Click to copy)
InChI=1S/C70H128O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-56-58-65(71)79-60-63(61-80-70-69(75)68(74)67(73)64(82-70)62-83(76,77)78)81-66(72)59-57-55-53-51-49-47-45-43-41-38-24-22-20-18-16-14-12-10-8-6-4-2/h20,22,38,41,45,47,51,53,63-64,67-70,73-75H,3-19,21,23-37,39-40,42-44,46,48-50,52,54-62H2,1-2H3,(H,76,77,78)/b22-20-,41-38-,47-45-,53-51-/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(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O