In-Silico Structure Database (LMISSD)
Common Name
MGDG(26:1(5Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(5Z-hexacosenoyl),2-(6Z,9Z,12Z-octadecatrienoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019EJA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
890.684700
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
DBXSFCSUGCAHER-NRGPYHTPSA-N
InChi (Click to copy)
InChI=1S/C53H94O10/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-48(55)60-44-46(45-61-53-52(59)51(58)50(57)47(43-54)63-53)62-49(56)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2/h12,14,18,27,32-35,46-47,50-54,57-59H,3-11,13,15-17,19-26,28-31,36-45H2,1-2H3/b14-12-,27-18-,34-32-,35-33-/t46-,47-,50+,51?,52?,53-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O