In-Silico Structure Database (LMISSD)
Common Name
SQDG(37:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-heptatriacontanoyl,2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P2C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1108.818752
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
MSRXMEZGJJZQEE-KCKGFSDVSA-N
InChi (Click to copy)
InChI=1S/C64H116O12S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-59(65)73-54-57(55-74-64-63(69)62(68)61(67)58(76-64)56-77(70,71)72)75-60(66)53-51-49-47-45-43-41-38-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,38,43,45,57-58,61-64,67-69H,3-5,7,9-11,13,15-17,19-37,39-42,44,46-56H2,1-2H3,(H,70,71,72)/b8-6-,14-12-,38-18-,45-43-/t57-,58-,61-,62?,63?,64-/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(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O