{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["70(Pt 5)"],"submitter":["Nikawa Y"],"pubmed_abstract":["In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phospho-choline mol-ecules are connected by an O-H⋯O hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O-H⋯O hydrogen bonds involving water mol-ecules, forming a layer parallel to (101). Three and one C-H⋯O inter-actions are also observed in the layer and between the layers, respectively. The conformation of the N-C-C-O backbone is gauche with a torsion angle of -75.8 (2)°"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o549"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4011268"],"repository":["biostudies-literature"],"pubmed_title":["2-(Tri-methyl-aza-nium-yl)ethyl hydrogen phosphate (phospho-choline) mono-hydrate."],"pmcid":["PMC4011268"],"pubmed_authors":["Noguchi K","Nikawa Y","Fujita K","Ohno H"],"additional_accession":[]},"is_claimable":false,"name":"2-(Tri-methyl-aza-nium-yl)ethyl hydrogen phosphate (phospho-choline) mono-hydrate.","description":"In the crystal structure of the title compound, C5H14NO4P·H2O, the zwitterionic phospho-choline mol-ecules are connected by an O-H⋯O hydrogen bond between the phosphate groups, forming a zigzag chain along the b-axis direction. The chains are further connected through O-H⋯O hydrogen bonds involving water mol-ecules, forming a layer parallel to (101). Three and one C-H⋯O inter-actions are also observed in the layer and between the layers, respectively. The conformation of the N-C-C-O backbone is gauche with a torsion angle of -75.8 (2)°","dates":{"release":"2014-01-01T00:00:00Z","publication":"2014 May","modification":"2025-04-18T20:54:58.712Z","creation":"2019-03-27T01:27:39Z"},"accession":"S-EPMC4011268","cross_references":{"pubmed":["24860357"],"doi":["10.1107/S160053681400779X"]}}