Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014

Compound Search

Search for compound by name or ID
Enter a compound name, or a database identifier from this database or from an external database such as ChEBI, LIGAND, PubChem or CAS. This database may not contain mappings to all of these other databases. Partial names will generate a substring search on compound names only (not on database identifiers).
Examples: "tryptophan", "C00036"
Search/Filter by ontology
Browse the compound ontology to a specific compound, or select one or more compound classes to filter your query to only retrieve members of those classes. Note that a large number of compounds have not yet been classified, so are found under the class "an unclassified compound".
Search/Filter by monoisotopic molecular weight (for mass spectroscopy)
Molecular weight (Daltons), one per line:
                                        Tolerance (+- ppm)
Search/Filter by molecular weight
<= Molecular weight (Daltons) <=
Search/Filter by chemical formula (partial or full)
Partial Match Exact Match
Examples:
  • Partial match
    • "C12" will retrieve all compounds with exactly 12 carbon atoms and possibly other elements
    • "C12N" will retrieve all compounds with exactly 12 carbons, and one or more nitrogens, and possibly other elements
    • "C6H12O6" will retrieve all compounds with exactly 6 carbons, 12 hydrogens, 6 oxygens, and possibly some other elements
    • "CH4O" will retrieve all compounds with one or more carbon, exactly 4 hydrogens, one or more oxygen, and possibly some other elements
    • "Zn" will retrieve all compounds containing zinc
  • Exact match
    • "C6H12O6" will retrieve all compounds with exactly 6 carbons, 12 hydrogens, 6 oxygens, and no other elements
    • "CH4O" will retrieve all compounds with exactly 1 carbon, 4 hydrogens, 1 oxygen, and no other elements
Search/Filter by SMILES (substructure or full)
Substructure Match Exact Match
Please see the introduction to SMILES.
Search by InChI string
Paste in the full InChI string, starting with "InChI=".

Note: Only search criteria that have been checked will be used in constructing the query. If multiple search criteria are specified, then results must satisfy ALL of them. For more search options, see the Advanced Search page. For more details on how to use this and other search facilities, see the Search Help page.


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