omicverse-bulk-metabol-untargeted-lipidomics

Analyze untargeted LC-MS metabolomics and lipidomics data in AnnData.

13|2|Updated Apr 5, 2026
One-click install
npx skills add https://github.com/omicverse/omicverse-skills --skill omicverse-bulk-metabol-untargeted-lipidomics
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: omicverse-bulk-metabol-untargeted-lipidomics
Source: https://github.com/omicverse/omicverse-skills/tree/main/src/omicverse_skills/skills/bulk-metabol-untargeted-lipidomics
Command: npx skills add https://github.com/omicverse/omicverse-skills --skill omicverse-bulk-metabol-untargeted-lipidomics

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) and assets (resource) components.

What problem does it solve?

This Skill removes the friction from untargeted metabolomics and lipidomics analysis by turning LC-MS peak tables and lipid species matrices into interpretable biological results inside an AnnData workflow. It helps analysts move from feature names and raw intensities to peak annotation, pathway enrichment, lipid class parsing, and ontology-level interpretation without stitching together separate tools. It is especially useful when you need to handle omicverse metabolomics workflows that depend on mummichog, LIPID MAPS shorthand, and LION enrichment.

Core Features & Use Cases

  • Untargeted metabolomics: Parse m/z and retention time from LC-MS feature IDs, annotate peaks against KEGG candidates, and run mummichog to recover enriched pathways from per-peak p-values.
  • Lipidomics analysis: Recognize LIPID MAPS-style names, annotate lipid classes and chain composition, aggregate to class-level matrices, and run LION enrichment on significant species.
  • Workflow safety and validation: Use cached KEGG, ChEBI, and LION resources, choose between basic and external mummichog backends, and validate inputs such as polarity, ppm tolerance, and species-level hit lists before enrichment.

Quick Start

Ask the skill to load your metabolomics or lipidomics AnnData data, annotate the features, and run the appropriate mummichog or LION analysis for the study design you want to interpret.

Frequently Asked Questions about omicverse-bulk-metabol-untargeted-lipidomics

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I run pathway enrichment on untargeted LC-MS metabolomics data?

To run pathway enrichment on untargeted LC-MS metabolomics data, the Skill parses m/z and retention time from feature IDs, annotates peaks against KEGG candidates, and runs mummichog using per-peak p-values to recover enriched pathways.

How do I parse LIPID MAPS shorthand names for lipidomics ontology analysis?

To parse LIPID MAPS shorthand names for lipidomics ontology analysis, the Skill recognizes lipid species matrices, annotates classes and chain compositions, aggregates to class-level matrices, and runs LION enrichment on significant species.

Can I use AnnData for untargeted lipidomics and metabolomics workflows?

Yes, you can use AnnData for untargeted lipidomics and metabolomics workflows. The Skill integrates directly with AnnData to transform LC-MS peak tables and lipid matrices into peak annotations, pathway enrichment, and ontology hits.

What inputs are required for mummichog pathway enrichment?

Mummichog pathway enrichment requires parsed feature metadata containing m/z and RT fields, raw per-peak p-values, and configurable polarity and ppm tolerances to map mass features to KEGG and ChEBI pathway candidates.

Does this workflow validate lipid species annotations before running LION enrichment?

Yes, the workflow validates inputs before running LION enrichment. It checks polarity, ppm tolerances, and species-level hit lists to ensure only valid lipid annotations proceed to ontology enrichment analysis.

What are the limitations of using cached pathway resources for metabolomics analysis?

Using cached KEGG and ChEBI pathway resources requires parsed feature metadata and configurable polarity settings, meaning the analysis is limited to pre-cached pathways and depends on accurate species-level annotations for valid enrichment.