Does this skill provide access to NMR and MS spectra?

Yes, it allows you to access experimental and predicted NMR, MS, and MS-MS spectra to help verify and identify metabolite candidates.

What is the primary use of the HMDB Database skill?

The skill is designed for metabolomics research, helping users identify metabolites, retrieve chemical properties, and explore clinical biomarker data directly within their AI-powered workflow.

Can I use this skill for bulk data analysis?

While optimized for targeted queries, the skill provides documentation and best practices for downloading and parsing HMDB's bulk datasets in XML, SDF, and CSV formats.

Can I search for metabolites using chemical structures?

Yes, the skill provides guidance and capabilities for structure-based searches using SMILES strings, InChI identifiers, or molecular weight ranges.

Is the information in this skill up to date?

The skill references HMDB version 5.0 (2023-2025 data), which is the most current and comprehensive version of the database available.

HMDB Metabolome Database

Name: HMDB Metabolome Database
Author: Microck

byMicrock

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데이터 과학 및 ML

Accesses and analyzes the Human Metabolome Database to retrieve detailed metabolite information, chemical properties, and clinical biomarkers.

소개

The HMDB Database skill integrates the comprehensive Human Metabolome Database (HMDB) into your workflow, providing detailed information on over 220,000 small molecule metabolites found in the human body. This tool is essential for researchers performing metabolomics, clinical chemistry, or biomarker discovery, as it allows for advanced searches by name, ID, structure, or spectral data. By linking chemical properties with biological pathways and clinical relevance, it simplifies the process of identifying unknown compounds and understanding their roles in human health and disease.

주요 기능

Retrieve detailed chemical properties including SMILES, InChI, and taxonomy
Query spectroscopic data including NMR and MS/MS spectra for identification
81 GitHub stars
Search 220,000+ metabolite entries by name, ID, or chemical structure
Access clinical biomarker data and biofluid concentration ranges
Map metabolites to biological pathways, enzymes, and transporters

사용 사례

Identifying unknown metabolites in untargeted metabolomics workflows
Researching clinical biomarkers and their associated disease states
Mapping experimental data to metabolic pathways and enzymatic reactions

소개

주요 기능

Retrieve detailed chemical properties including SMILES, InChI, and taxonomy
Query spectroscopic data including NMR and MS/MS spectra for identification
81 GitHub stars
Search 220,000+ metabolite entries by name, ID, or chemical structure
Access clinical biomarker data and biofluid concentration ranges
Map metabolites to biological pathways, enzymes, and transporters

사용 사례

Identifying unknown metabolites in untargeted metabolomics workflows
Researching clinical biomarkers and their associated disease states
Mapping experimental data to metabolic pathways and enzymatic reactions