using chebi to explore the underlying biology in metabolomics studies
Post on 11-May-2015
290 Views
Preview:
DESCRIPTION
TRANSCRIPT
Exploring the biological impact of chemicals
with the ChEBI Ontology
Janna HastingsEBI Cheminformatics and Metabolism
ChEBI – a database and ontologyfor chemical entities of biological interest
Names, synonyms
Structures
Chemical data
Cross-references
Classification
Citations
oxytocin
Wednesday, April 12, 2023 3
All ChEBI entries are classified
Wednesday, April 12, 2023 6
ChEBI Ontology
chemical entity role
carboxylic acid
application
antibacterial drug
cefpodoxime (CHEBI:606443)
pharmaceutical
biological role
chemical role
chemical substance
molecular entitygroup
carbonyl compoundsolvent
has role
cyclooxygenaseinhibitor
carboxy group
has part
ChEBI – Chemical Entities of Biological Interest
12.04.23 8
ChEBI ontology relationships
• Generic ontology relationships
• Chemistry-specific relationships
Recent addition: ‘Metabolite of Species’
MetaboLights – a repository for metabolomics experiments
Metabolites identified in study linked to ChEBI
12/04/2312
Messerli: Chocolate consumption, cognitive function, and Nobel laureates
How does chocolate lead to Nobel prizes?
Ontology enrichment analysis for chemicals in metabolomics result based on ChEBI roles
Chemical—GO enrichment (uses GO-ChEBI XPs)
Chemical role enrichment for metabolites identified in bipolar disorder metabolomics study
Annotation density increases quality of enrichment results
ChEBI cross-referencescan be adapted tobe used as sources ofannotations
Coming Soon: BinChe – a web-based tool for enrichment analysis based on ChEBI Ontology
Structure-based
Role-based
Based on BinGOplugin for CytoScape
THANKS
Christoph Steinbeck
Bhavana Harsha, Pablo Moreno, Stephan Beisken
Venkatesh Muthukrishnan, Adriano Dekker
Marcus Ennis, Gareth Owen, Steve Turner
Reza Salek, Kenneth Haug, Mark Williams
12 April 202318
Funding: BBSRC, EMBL, EU
top related