CHAracterisation MEthodology Ontology

Last uploaded: March 26, 2025
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Preferred Name

MolecularEntity

Synonyms

ChemicalEntity

Definitions

Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities. Note that the name of a compound may refer to the respective molecular entity or to the chemical species, This concept is strictly related to chemistry. For this reason an atom can be considered the smallest entity that can be considered "molecular", including nucleus when they are seen as ions (e.g. H⁺, He⁺⁺). Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity that can undergo a chemical reaction.

ID

https://w3id.org/emmo#EMMO_21205421_5783_4d3e_81e5_10c5d894a88a

comment

Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities. Note that the name of a compound may refer to the respective molecular entity or to the chemical species,

This concept is strictly related to chemistry. For this reason an atom can be considered the smallest entity that can be considered "molecular", including nucleus when they are seen as ions (e.g. H⁺, He⁺⁺).

Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity that can undergo a chemical reaction.

altLabel

ChemicalEntity

EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9

Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity that can undergo a chemical reaction.

EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f

Molecular entity is used as a general term for singular entities, irrespective of their nature, while chemical species stands for sets or ensembles of molecular entities. Note that the name of a compound may refer to the respective molecular entity or to the chemical species,

This concept is strictly related to chemistry. For this reason an atom can be considered the smallest entity that can be considered "molecular", including nucleus when they are seen as ions (e.g. H⁺, He⁺⁺).

example

Methane, may mean a single molecule of CH4 (molecular entity) or a molar amount, specified or not (chemical species), participating in a reaction. The degree of precision necessary to describe a molecular entity depends on the context.

Hydrogen molecule is an adequate definition of a certain molecular entity for some purposes, whereas for others it is necessary to distinguish the electronic state and/or vibrational state and/or nuclear spin, etc. of the hydrogen molecule.

isDefinedBy

https://goldbook.iupac.org/terms/view/M03986

prefixIRI

emmo:EMMO_21205421_5783_4d3e_81e5_10c5d894a88a

EMMO_21205421_5783_4d3e_81e5_10c5d894a88a

prefLabel

MolecularEntity

seeAlso

https://goldbook.iupac.org/terms/view/M03986

subClassOf

https://w3id.org/emmo#EMMO_32f55395_8b94_40de_a103_bffa5c121d98

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Portal mappings

Mapping To Ontology Relations Source Type Actions
http://emmo.info/emmo#EMMO_21205421_5783_4d3e_81e5_10c5d894a88a https://data.industryportal.enit.fr/ontologies/EMMO LOOM Inter-portal
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