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The process is known as glucuronidation, and the resulting substances are known as glucuronides (or glucuronosides). These linkages involve O-glycosidic bonds. In humans, glucuronic acid is often linked to toxic or poisonous substances to allow for subsequent elimination, and to hormones to allow for easier transport. Glucuronic acid is highly soluble in water. The salts of glucuronic acid are known as glucuronates. Glucuronic acid (CAS: ) is a carboxylic acid that has the structure of a glucose molecule that has had its sixth carbon atom (of six total) oxidized. Gaussian09 offers a variety of very accurate energy methods for predicting thermochemical quantities, Photochemistry and other Excited State Processes, and Solvent Effects can be taken into account when optimizing structures and predicting most molecular properties.įollow the links below to get more information on capabilities, features and keywords of gaussian09.Enzymes (23) Show 23 proteins Record Information Gaussian09 can predict a variety of spectra including IR and Raman, NMR, UV/Visible, Vibrational circular dichroism (VCD), Raman optical activity (ROA), Electronic circular dichroism (ECD), Optical rotary dispersion (ORD), Hyperfine spectra (microwave spectroscopy), Franck-Condon, Herzberg-Teller and Franck-Condon/Herzberg-Teller analyses. You can go on to compute the reaction path by following the intrinsic reaction coordinate (IRC) and determine which reactants and products are connected by a given transition structure. Predict the structures of transition states, and verify that the located stationary points are in fact minima and transition states. Comprehensive Investigations of Molecules and Reactions:.
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New and Enhanced Methods and Algorithms.Study Excited States in the Gas Phase and in Solution.Model Reactions of Very Large Systems with ONIOM.Gaussian09 offers new features and performance enhancements which will enable you to model molecular systems of increasing size, with more accuracy, under a broader range of real world conditions.