title: Calculated conformations of sialyl-Le(x)- and sialyl-Le(a)-lactones.
abstract: The minimum energy conformations of the four sterically reasonable SLe(x) and SLe(a) lactones were calculated using the molecular mechanics force-field MM2(91). The tetrasaccharide lactone involving the 3- and 2-position of the Gal moiety was found to be more stable than the 3,4-lactone both for SLe(x) and SLe(a).
authors.affiliation: Lund Institute of Technology, University of Lund, Sweden.
authors.forename: U
authors.initials: U
authors.lastname: Ellervik
authors.forename: G
authors.initials: G
authors.lastname: Magnusson
mesh_terms: D018395:CA-19-9 Antigen; D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D003196:Computer Graphics; D005732:Gangliosides / Q000737:chemistry; D007783:Lactones / Q000737:chemistry*; D007983:Lewis Blood Group Antigens / Q000737:chemistry*; D008969:Molecular Sequence Data; D015394:Molecular Structure; D009844:Oligosaccharides / Q000737:chemistry / Q000648:ultrastructure; D000080506:Sialyl Lewis X Antigen
chemical_list: D018395:CA-19-9 Antigen; D005732:Gangliosides; D007783:Lactones; D007983:Lewis Blood Group Antigens; D009844:Oligosaccharides; D000080506:Sialyl Lewis X Antigen; C064564:sialyl Le(a) ganglioside