<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>70(Pt 5)</volume><submitter>Nikawa Y</submitter><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)°</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o549</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4011268</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2-(Tri-methyl-aza-nium-yl)ethyl hydrogen phosphate (phospho-choline) mono-hydrate.</pubmed_title><pmcid>PMC4011268</pmcid><pubmed_authors>Noguchi K</pubmed_authors><pubmed_authors>Nikawa Y</pubmed_authors><pubmed_authors>Fujita K</pubmed_authors><pubmed_authors>Ohno H</pubmed_authors></additional><is_claimable>false</is_claimable><name>2-(Tri-methyl-aza-nium-yl)ethyl hydrogen phosphate (phospho-choline) mono-hydrate.</name><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)°</description><dates><release>2014-01-01T00:00:00Z</release><publication>2014 May</publication><modification>2025-04-18T20:54:58.712Z</modification><creation>2019-03-27T01:27:39Z</creation></dates><accession>S-EPMC4011268</accession><cross_references><pubmed>24860357</pubmed><doi>10.1107/S160053681400779X</doi></cross_references></HashMap>