In-Silico Structure Database (LMISSD)
Common Name
SQDG(17:1(9Z)/11:0)
Systematic Name
1-(9Z-heptadecenoyl),2-undecanoyl-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019LOP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
736.443152
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
KZQSRXCLTMMKPK-LBOMTYHQSA-N
InChi (Click to copy)
InChI=1S/C37H68O12S/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-32(38)46-27-30(48-33(39)26-24-22-19-12-10-8-6-4-2)28-47-37-36(42)35(41)34(40)31(49-37)29-50(43,44)45/h14-15,30-31,34-37,40-42H,3-13,16-29H2,1-2H3,(H,43,44,45)/b15-14-/t30-,31-,34-,35?,36?,37-/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(CCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O