In-Silico Structure Database (LMISSD)
Common Name
SQDG(24:1(15Z)/20:4(5Z,8Z,11Z,13E))
Systematic Name
1-(15Z-tetracosenoyl),2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019OW8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
952.630952
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
JJBRJKXOCRZIFV-DVEUKZHQSA-N
InChi (Click to copy)
InChI=1S/C53H92O12S/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-48(54)62-43-46(44-63-53-52(58)51(57)50(56)47(65-53)45-66(59,60)61)64-49(55)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h14,16-20,28,30,34,36,46-47,50-53,56-58H,3-13,15,21-27,29,31-33,35,37-45H2,1-2H3,(H,59,60,61)/b16-14+,19-17-,20-18-,30-28-,36-34-/t46-,47-,50-,51?,52?,53-/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\CCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O