Metabolite names and IDs: Metabolite names are given to the level of structural information available. Typically, we are making identifications from samples based on two orthogonal and independent parameters as compared with pure reference standards. In other cases, where we only have limited evidence for an assignment (for example comparison of sample metabolite with an online spectral database) we are making a putative annotation. Right now, these are indicated with parentheses around the metabolite name. In other cases, where only limited structural information is available, a chemical formula, detection value (retention time + m/z) or chemical class is used as the metabolite name.
The WoM features data viewing tabs: "One Environment", "One Compound" and "One Organism" allow the user to constrain the data to the dimension as indicated on the tab. For example "One Compound" will display a table linking the actions of organisms on the user specified metabolite from within multiple environments. These metabolic actions include the increase or decrease of a metabolite after exposure of an environment to a transforming agent (one or more organisms). There are two types of assertions that are made on the WoM:
Caveats: Our goal is to make assertions of presence and relative abundances. The shading does not indicate absolute/quantified abundances, thus it is not possible to use the shading to compare abundances of different metabolites (given dramatic differences in certain instrument response functions for metabolites). For example, with mass spectrometry, some abundant metabolites may not be detectable due to poor ionization (e.g. hydrocarbons). Further, the increase/decrease of a metabolite may be due to a number of factors including, for example, active or passive transmembrane transport, extracellular enzymes, and adsorption onto cellular, mineral or culture vessel surfaces.