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ChEBI

ChEBI. And natural products of plant origin. Janna Hastings. ChEBI Ontology. chemical entity. role. biological role. chemical substance. molecular entity. application. chemical role. group. carbonyl compound. pharmaceutical. solvent. carboxy group. carboxylic acid.

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ChEBI

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  1. ChEBI And natural products of plant origin Janna Hastings

  2. ChEBI Ontology chemical entity role biological role chemical substance molecular entity application chemical role group carbonyl compound pharmaceutical solvent carboxy group carboxylic acid antibacterial drug cyclooxygenaseinhibitor has part has role cefpodoxime (CHEBI:606443)

  3. Focus on natural products and metabolism

  4. Additional data items for natural products References to ontologies Species Variety Tissue Links to citations, where available

  5. Ontology representation metabolite drug metabolite primary metabolite secondary metabolite has_role Avicularin (CHEBI:65460)

  6. Two Challenges • “metabolite” is a defined class that means (roughly) some instances of a particular chemical type (i.e. with the same chemical structure) are created by metabolic processes in a living organism of a given species • Many metabolites, very flat classificationFuture: “metabolite of Rhododendron” is a “metabolite”Need simplified subset of NCBI Taxonomy: • Only that subset for which we have metabolites for the species • Reduce intermediary chains of single-parent single-child taxa • Also, we use IPNI (International plant names index) where no NCBI Not exactly a biological role Not a binary relationship

  7. Thank you! Questions?

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