PubMed:3955570 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PubMed/sourceid/3955570","sourcedb":"PubMed","sourceid":"3955570","source_url":"http://www.ncbi.nlm.nih.gov/pubmed/3955570","text":"X-ray crystal structure of galabiose, O-alpha-D-galactopyranosyl-(1---4)-D-galactopyranose.\nO-alpha-D-Galactopyranosyl-(1---4)-D-galactopyranose, C12H22O11, Mr = 342.30, crystallises in the orthorhombic space group P2(1)2(1)2(1), and has alpha = 5.826(1), b = 13.904(3), c = 17.772(4) A, Z = 4, and Dx = 1.579 g.cm-3. Intensity data were collected with a CAD4 diffractometer. The structure was solved by direct methods and refined to R = 0.063 and Rw = 0.084 for 2758 independent reflections. The glycosidic linkage is of the type 1-axial-4-axial with torsion angles phi O-5' (O-5'-C-1'-O-1'-C-4) = 98.1(2) degrees, psi C-3 (C-3-C-4-O-1'-C-1') = -81.9(3) degrees, phi H (H-1'-C-1'-O-1'-C-4) = -18 degrees, and psi H (H-4-C-4-O-1'-C-1') = 35 degrees. The conformation is stabilised by an O-3 . . . O-5' intramolecular hydrogen-bond with length 2.787(3) A and O-3-H . . . O-5' = 162 degrees. The glycosidic linkage causes a folding of the molecule with an angle of 117 degrees between the least-square planes through the pyranosidic rings. The crystal investigated contained 56(1)% of alpha- and 44(1)% of beta-galabiose as well as approximately 70% of the gauche-trans and approximately 30% of the trans-gauche conformers about the exocyclic C-5'-C-6' and C-5-C-6 bonds. The crystal packing is governed by hydrogen bonding that engages all oxygen atoms except the intramolecular acceptor O-5' and the glycosidic O-1' oxygen atoms.","tracks":[{"project":"sentences","denotations":[{"id":"TextSentencer_T1","span":{"begin":0,"end":91},"obj":"Sentence"},{"id":"TextSentencer_T2","span":{"begin":92,"end":317},"obj":"Sentence"},{"id":"TextSentencer_T3","span":{"begin":318,"end":375},"obj":"Sentence"},{"id":"TextSentencer_T4","span":{"begin":376,"end":492},"obj":"Sentence"},{"id":"TextSentencer_T5","span":{"begin":493,"end":749},"obj":"Sentence"},{"id":"TextSentencer_T6","span":{"begin":750,"end":796},"obj":"Sentence"},{"id":"TextSentencer_T7","span":{"begin":797,"end":869},"obj":"Sentence"},{"id":"TextSentencer_T8","span":{"begin":870,"end":889},"obj":"Sentence"},{"id":"TextSentencer_T9","span":{"begin":890,"end":1037},"obj":"Sentence"},{"id":"TextSentencer_T10","span":{"begin":1038,"end":1269},"obj":"Sentence"},{"id":"TextSentencer_T11","span":{"begin":1270,"end":1429},"obj":"Sentence"},{"id":"T1","span":{"begin":0,"end":91},"obj":"Sentence"},{"id":"T2","span":{"begin":92,"end":317},"obj":"Sentence"},{"id":"T3","span":{"begin":318,"end":375},"obj":"Sentence"},{"id":"T4","span":{"begin":376,"end":492},"obj":"Sentence"},{"id":"T5","span":{"begin":493,"end":749},"obj":"Sentence"},{"id":"T6","span":{"begin":750,"end":796},"obj":"Sentence"},{"id":"T7","span":{"begin":797,"end":869},"obj":"Sentence"},{"id":"T8","span":{"begin":870,"end":889},"obj":"Sentence"},{"id":"T9","span":{"begin":890,"end":1037},"obj":"Sentence"},{"id":"T10","span":{"begin":1038,"end":1269},"obj":"Sentence"},{"id":"T11","span":{"begin":1270,"end":1429},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"TextSentencer_T1","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T2","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T3","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T4","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T5","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T6","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T7","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T8","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T9","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T10","pred":"source","obj":"sentences"},{"subj":"TextSentencer_T11","pred":"source","obj":"sentences"},{"subj":"T1","pred":"source","obj":"sentences"},{"subj":"T2","pred":"source","obj":"sentences"},{"subj":"T3","pred":"source","obj":"sentences"},{"subj":"T4","pred":"source","obj":"sentences"},{"subj":"T5","pred":"source","obj":"sentences"},{"subj":"T6","pred":"source","obj":"sentences"},{"subj":"T7","pred":"source","obj":"sentences"},{"subj":"T8","pred":"source","obj":"sentences"},{"subj":"T9","pred":"source","obj":"sentences"},{"subj":"T10","pred":"source","obj":"sentences"},{"subj":"T11","pred":"source","obj":"sentences"}]},{"project":"NCBITAXON","denotations":[{"id":"T1","span":{"begin":1000,"end":1006},"obj":"OrganismTaxon"}],"attributes":[{"id":"A1","pred":"db_id","subj":"T1","obj":"106761"},{"subj":"T1","pred":"source","obj":"NCBITAXON"}]},{"project":"GlyCosmos6-Glycan-Motif-Structure","denotations":[{"id":"T1","span":{"begin":27,"end":36},"obj":"https://glytoucan.org/Structures/Glycans/G62763GO"},{"id":"T2","span":{"begin":1109,"end":1118},"obj":"https://glytoucan.org/Structures/Glycans/G62763GO"}],"attributes":[{"subj":"T1","pred":"source","obj":"GlyCosmos6-Glycan-Motif-Structure"},{"subj":"T2","pred":"source","obj":"GlyCosmos6-Glycan-Motif-Structure"}]},{"project":"GlyCosmos6-Glycan-Motif-Image","denotations":[{"id":"T1","span":{"begin":27,"end":36},"obj":"Glycan_Motif"},{"id":"T2","span":{"begin":1109,"end":1118},"obj":"Glycan_Motif"}],"attributes":[{"id":"A1","pred":"image","subj":"T1","obj":"https://api.glycosmos.org/wurcs2image/0.10.0/png/binary/G62763GO"},{"id":"A2","pred":"image","subj":"T2","obj":"https://api.glycosmos.org/wurcs2image/0.10.0/png/binary/G62763GO"},{"subj":"T1","pred":"source","obj":"GlyCosmos6-Glycan-Motif-Image"},{"subj":"T2","pred":"source","obj":"GlyCosmos6-Glycan-Motif-Image"}]},{"project":"Anatomy-UBERON","denotations":[{"id":"T1","span":{"begin":203,"end":208},"obj":"Body_part"}],"attributes":[{"id":"A1","pred":"uberon_id","subj":"T1","obj":"http://purl.obolibrary.org/obo/UBERON_0000464"},{"subj":"T1","pred":"source","obj":"Anatomy-UBERON"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"sentences","color":"#ecb293","default":true},{"id":"NCBITAXON","color":"#9893ec"},{"id":"GlyCosmos6-Glycan-Motif-Structure","color":"#a7ec93"},{"id":"GlyCosmos6-Glycan-Motif-Image","color":"#ec93c1"},{"id":"Anatomy-UBERON","color":"#93dbec"}]}]}}