rhea-linkml schema

Experimental alpha version of a rendering of Rhea as LinkML

For additional context, see linkml-rhea docs

This schema should largely correspond one-to-one with classes and properties in Rhea. Modifications:

  • Added a AbstractReaction grouping
  • prefixed properties directional/bidirectionalReaction with 'has'
  • mkdocs requires case-insensitive names, so this avoids name clash with classes
  • we retain the true rdf property as slot_uri

Classes

  • Class - compounds and reactions are represented as classes in Rhea
    • AbstractReaction - Grouping class for all three reaction forms
      • BidirectionalReaction - A chemical reaction which can happen in one direction or the other, depending on the physiological conditions.
      • DirectionalReaction - A chemical reaction, with the direction specified by substrates and products.
      • Reaction - A chemical reaction, with unspecified direction.
    • Compound - A chemical compound
      • GenericCompound - A chemical compound whose complete chemical structure is not described. Have one or or more reactive part(s) with chemical structure(s).
        • GenericPolynucleotide - A generic compound that is a polynucleotide. Have one or or more reactive part(s) with chemical structure(s).
        • GenericPolypeptide - A generic compound that is a polypeptide. Have one or or more reactive part(s) with chemical structure(s).
      • Polymer - A chemical compound that is a polymer. Described by a polymerization index, and an underlying polymer from ChEBI.
      • SmallMolecule - A chemical compound that is a small molecule. A subclass of a given ChEBI chemical entity.
    • ReactionParticipant - A reaction participant. Contained in a reaction side.
    • ReactivePart - A reactive part in a generic compound, with a defined chemical structure. A subclass of a given ChEBI chemical entity.
  • ReactionSide - A reaction side in a chemical reaction. Contains one or more reaction participants.

Mixins

Slots

Enums

Subsets

Types

Built in

  • Bool
  • Decimal
  • ElementIdentifier
  • NCName
  • NodeIdentifier
  • URI
  • URIorCURIE
  • XSDDate
  • XSDDateTime
  • XSDTime
  • float
  • int
  • str

Defined

  • CHEBIIdentifier (DatabaseIdentifier)
  • DatabaseIdentifier (Uriorcurie)
  • Boolean (Bool) - A binary (true or false) value
  • Date (XSDDate) - a date (year, month and day) in an idealized calendar
  • Datetime (XSDDateTime) - The combination of a date and time
  • Decimal (Decimal) - A real number with arbitrary precision that conforms to the xsd:decimal specification
  • Double (float) - A real number that conforms to the xsd:double specification
  • Float (float) - A real number that conforms to the xsd:float specification
  • Integer (int) - An integer
  • Ncname (NCName) - Prefix part of CURIE
  • Nodeidentifier (NodeIdentifier) - A URI, CURIE or BNODE that represents a node in a model.
  • Objectidentifier (ElementIdentifier) - A URI or CURIE that represents an object in the model.
  • String (str) - A character string
  • Time (XSDTime) - A time object represents a (local) time of day, independent of any particular day
  • Uri (URI) - a complete URI
  • Uriorcurie (URIorCURIE) - a URI or a CURIE