In-Silico Structure Database (LMISSD)
Common Name
SQDG(38:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-octatriacontanoyl,2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(6'-sulfo-α-D-quinovosyl)-sn-glycerol
LM ID
LMGL05019P5E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1174.865702
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
CXPZRYGSEMMKCV-ZNQZGHRPSA-N
InChi (Click to copy)
InChI=1S/C69H122O12S/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-55-57-64(70)78-59-62(60-79-69-68(74)67(73)66(72)63(81-69)61-82(75,76)77)80-65(71)58-56-54-52-50-48-46-44-42-39-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,39,42,46,48,52,54,62-63,66-69,72-74H,3-5,7,9-11,13,15-17,19,21-38,40-41,43-45,47,49-51,53,55-61H2,1-2H3,(H,75,76,77)/b8-6-,14-12-,20-18-,42-39-,48-46-,54-52-/t62-,63-,66-,67?,68?,69-/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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O