title: Identification of isethionic acid and other small molecule metabolites of Fragilariopsis cylindrus with nuclear magnetic resonance.
abstract: Nuclear magnetic resonance (NMR) spectroscopy has been used to obtain metabolic profiles of the polar diatom Fragilariopsis cylindrus, leading to the identification of a novel metabolite in this organism. Initial results from an ongoing metabolomics study have led to the discovery of isethionic acid (2-hydroxyethanesulfonic acid, CAS: 107-36-8) as a major metabolite in F. cylindrus. This compound is being produced by the organism under normal culture conditions. This finding is the first report of a diatom producing isethionic acid. In addition to isethionic acid, four other metabolites, dimethylsulfoniopropionate (DMSP), betaine, homarine, and proline were present and may serve as osmoprotectants in F. cylindrus. NMR-based metabolite profiles of F. cylindrus were obtained along a growth curve of the organism. The relative concentration levels of the five metabolites were monitored over a growth period of F. cylindrus from 18 to 25 days. All showed an increase in relative concentration with time, except for proline, which began to decrease after day 21.
authors: Analytical Chemistry Division, Hollings Marine Laboratory, National Institute of Standards and Technology, Charleston, SC 29412, USA.
authors: Arezue F B
authors: AF
authors: Boroujerdi
authors: Peter A
authors: PA
authors: Lee
authors: Giacomo R
authors: GR
authors: DiTullio
authors: Michael G
authors: MG
authors: Janech
authors: Sarah B
authors: SB
authors: Vied
authors: Daniel W
authors: DW
authors: Bearden
mesh_terms: D001622:Betaine / Q000302:isolation & purification*; D003081:Cold Climate; D003470:Culture Media; D017377:Diatoms / Q000737:chemistry* / Q000254:growth & development; D007513:Isethionic Acid / Q000302:isolation & purification*; D009682:Magnetic Resonance Spectroscopy; D055442:Metabolome; D055432:Metabolomics; D010848:Picolinic Acids / Q000302:isolation & purification*; D025341:Principal Component Analysis; D011392:Proline / Q000302:isolation & purification*; D013452:Sulfonium Compounds / Q000302:isolation & purification*
chemical_list: D003470:Culture Media; D010848:Picolinic Acids; D013452:Sulfonium Compounds; D001622:Betaine; D007513:Isethionic Acid; D011392:Proline; C068078:dimethylpropiothetin; C010981:homarine