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Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate).

ABSTRACT: The 2-thio-ethanesulfonate anion is the smallest known coenzyme in nature (HS-CoM) and plays a key role in methano-genesis by anaerobic archaea, as well as in the oxidation of alkenes by Gram-negative and Gram-positive eubacteria. The title compound, Na(+)·C(2)H(5)O(3)S(2) (-)·H(2)O, is the Na(+) salt of HS-CoM crystallized as the monohydrate. Six O atoms form a distorted octa-hedral coordination geometry around the Na atom, at distances in the range 2.312?(4)-2.517?(3)?Å. Two O atoms of the sulfonate group, one O atom of each of three other symmetry-related sulfonate groups plus the water O atom form the coordination environment of the Na(+) ion. This arrangement forms Na-O-Na layers in the crystal structure, parallel to (100).

SUBMITTER: Mayr S

PROVIDER: S-EPMC2959637 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate).

Mayr Stefan S Günther Detlef D Jaun Bernhard B Schweizer W Bernd WB

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

The 2-thio-ethanesulfonate anion is the smallest known coenzyme in nature (HS-CoM) and plays a key role in methano-genesis by anaerobic archaea, as well as in the oxidation of alkenes by Gram-negative and Gram-positive eubacteria. The title compound, Na(+)·C(2)H(5)O(3)S(2) (-)·H(2)O, is the Na(+) salt of HS-CoM crystallized as the monohydrate. Six O atoms form a distorted octa-hedral coordination geometry around the Na atom, at distances in the range 2.312 (4)-2.517 (3) Å. Two O atoms of the sul ...[more]

PMID: 21580910

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Project description:BackgroundSodium is an essential nutrient; however, excess dietary sodium is associated with increased blood pressure levels. The 2004 Canadian Community Health Survey - Nutrition (CCHS 2.2) concluded that most Canadians exceeded the Tolerable Upper Intake Level (UL) of 2300 mg/day. The 2015 CCHS indicated that Canadians were still consuming above the UL. To assess population sodium intakes, a Sodium AnaLysis Tool (SALT) was developed.MethodsWe used data from CCHS 2.2 (2004) to group foods into types (e.g., popcorn, crackers) and general categories (e.g., snack foods) which formed the SALT questions. Portion sizes and sodium values were calculated for SALT questions. Over a one-month period, one hundred participants completed three, 24-h recalls (at beginning, middle, and end) and two SALT (SALT1 & SALT2) tools (at beginning and end). To assess both validity and reliability, statistical tests including Bland-Altman (B-A) plots, paired t-tests, differences between means, and correlations were conducted. The mean of the 3,24-h recalls (m24HR) was used for validation.ResultsValidity testing between SALT2 and the m24HR yielded variable results. A B-A plot between SALT2 and m24HR depicted a small bias of 7 mg/day of sodium. The sodium intake for m24HR (2742 ± 980 mg/day) (mean ± standard deviation) versus SALT2 (2735 ± 1174 mg/day) was not significantly different (p = 0.960). Pearson's correlation between methods, although significant (p = 0.02) was poor (r = 0.202; de-attenuated r = 0.400). There was a fair, significant agreement (κ = 0.236, p = 0.02) for the classification of sodium intake into two categories (above or below the UL). Test-retest reliability results were also variable. There was moderate, significant agreement (κ = 0.488, p = 0.001) for classification of sodium intake into two categories between SALT1 and SALT2, a significant correlation (Pearson's r = 0.785, p < 0.001), and the B-A plot depicted good agreement. However, the values for sodium intake for SALT1 (3185 ± 1424) vs SALT2 (2735 ± 1174) were significantly different (p = 0.005).ConclusionsResults indicate that the SALT has the potential to be a valid and reliable tool for assessing dietary sodium intake of Canadian adult populations. Despite some classification issues, there may be some value in using the SALT to categorize sodium intakes. Further refinement of the SALT may be required.

Dataset Information

Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate).

Publications

Sodium 2-mercaptoethanesulfonate monohydrate (coenzyme M sodium salt monohydrate).

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