Databases
The Human Metabolome Database
The Human Metabolome Database (HMDB) is a freely available database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data. HMDB contains over 41,000 metabolite entries including both water-soluble and lipid soluble metabolites as well as metabolites that would be regarded as either abundant (> 1 uM) or relatively rare (< 1 nM). Additionally, approximately 7,200 protein (and DNA) sequences are linked to these metabolite entries.
MyCompound ID (MCID)
MyCompoundID (MCID) is an efficient web-based platform tailored for the identification of compounds through mass spectrometry (MS) data, encompassing a pivotal MS Search tool. This tool offers access to an evidence-based metabolome library featuring 8,021 known human endogenous metabolites and an extensive catalog of their predicted metabolic products, totaling over 10 million compounds after one and two metabolic reactions. Alongside, the PEP Search and M-RT-MS/MS Search tools enhance its utility by facilitating amino acid sequence identification in peptides and integrating mass, retention time, and MS/MS spectral data for comprehensive compound analysis. MCID stands as an invaluable asset for metabolomics researchers, streamlining the intricate task of biological sample analysis with its vast compound database.
The NovaMT Metabolite Library
The NovaMT Metabolite Library is a pioneering solution for metabolomics researchers, offering a comprehensive array of features tailored to expedite compound identification through mass spectrometry (MS) data analysis. At its core lies a unique 3-tiered database structure, encompassing over 1500 experimental entries of authentic metabolite standards in Tier 1, complemented by more than 8000 putative entries matching thousands of endogenous metabolites and their derivatives in Tier 2, and boasting hundreds of thousands of putative entries for mass matching in Tier 3. This multi-tiered approach ensures robustness and accuracy in compound identification. NovaMT offers a specialized 4- channel analysis, catering to various chemical functionalities, including Amino/Phenol, Carboxylic acid, Hydroxyl, and Ketone groups, broadening its applicability across diverse metabolomic studies. Moreover, NovaMT offers kingdom-specific data spanning animals, plants, and bacteria, coupled with comprehensive chemical and biological pathway information for downstream analysis. Accessible via an annual subscription basis, NovaMT offers the first year free upon purchase of the IsoMS Pro software, ensuring affordability and accessibility for researchers in the metabolomics community. With its rich content, advanced tools, and user-friendly interface, NovaMT Metabolite Library emerges as an indispensable resource, revolutionizing the landscape of metabolomics research.
Funding Agencies and Partners
