In-Silico Structure Database (LMISSD)
Common Name
MGDG(12:0/26:2(5Z,9E))
Systematic Name
1-dodecanoyl,2-(5Z,9E-hexacosadienoyl)-3-3-O-β-D-galactosyl-sn-glycerol
LM ID
LMGL05019AGS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
810.622100
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Glycosyldiradylglycerols [GL05]
Glycosyldiacylglycerols [GL0501]
String Representations
InChiKey (Click to copy)
IIBMOCHDSSCUNC-ZZWULKRHSA-N
InChi (Click to copy)
InChI=1S/C47H86O10/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-43(50)56-40(39-55-47-46(53)45(52)44(51)41(37-48)57-47)38-54-42(49)35-33-31-29-27-12-10-8-6-4-2/h23-24,28,30,40-41,44-48,51-53H,3-22,25-27,29,31-39H2,1-2H3/b24-23+,30-28-/t40-,41-,44+,45?,46?,47-/m1/s1
SMILES (Click to copy)
C(O[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)[C@]([H])(OC(CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O