@prefix : . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . @prefix rdfs: . @prefix skos: . @prefix dcterms: . @base . rdf:type owl:Ontology ; owl:versionIRI ; owl:imports , ; dcterms:abstract "The chemistry module populates the physicalistic perspective with materials subclasses categorised according to modern applied chemistry."@en ; dcterms:creator , , ; dcterms:license "https://creativecommons.org/licenses/by/4.0/legalcode" ; dcterms:publisher ; dcterms:title "Chemistry"@en ; rdfs:comment "The EMMO requires FacT++ reasoner plugin in order to visualize all inferences and class hierarchy (ctrl+R hotkey in Protege)."@en ; owl:versionInfo "1.0.3" ; :EMMO_1246b120_abbe_4840_b0f8_3e4348b24a17 "emmo@emmc.eu" . ################################################################# # Annotation properties ################################################################# ### https://w3id.org/emmo#EMMO_2856bbc2_96e1_485b_b5f8_2fdfcb0c9b92 :EMMO_2856bbc2_96e1_485b_b5f8_2fdfcb0c9b92 rdf:type owl:AnnotationProperty ; rdfs:seeAlso "https://inchi.info/inchikey_overview_en.html"^^xsd:anyURI ; skos:prefLabel "inchiKey"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A hash of the full International Chemical Identifier (InChi) for a chemical substance."@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "The InChiKey is a hash of the full InChi identifier using the SHA-256 algorithm, designed to allow for easy web searches of chemical compounds."@en ; rdfs:subPropertyOf rdfs:seeAlso . ### https://w3id.org/emmo#EMMO_2e0b0f1b_ba90_4827_af5a_92b826cb90de :EMMO_2e0b0f1b_ba90_4827_af5a_92b826cb90de rdf:type owl:AnnotationProperty ; rdfs:isDefinedBy ; skos:prefLabel "SMILESReference"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "OpenSMILES representation of a molecular structure."@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "OpenSMILES is an open specification of the SMILE language for specifying molecular structures, which has become a defacto standard for exchange of molecular structures."@en ; :EMMO_c84c6752_6d64_48cc_9500_e54a3c34898d ; rdfs:subPropertyOf rdfs:seeAlso . ################################################################# # Object Properties ################################################################# ### https://w3id.org/emmo#EMMO_18fdd2cd_4b0a_43a5_a938_66d8290a066c :EMMO_18fdd2cd_4b0a_43a5_a938_66d8290a066c rdf:type owl:ObjectProperty ; rdfs:subPropertyOf :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; rdf:type owl:AsymmetricProperty , owl:IrreflexiveProperty ; rdfs:domain :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 ; rdfs:range :EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 ; skos:prefLabel "hasSpeciesPart"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Relates a chemical composition to one its species."@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "This property is typically used to relate a SingleComponentComposition to its chemical species."@en . ### https://w3id.org/emmo#EMMO_51f426a6_af4a_4e91_a392_2b0bb635e2d5 :EMMO_51f426a6_af4a_4e91_a392_2b0bb635e2d5 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf :EMMO_eb3518bf_f799_4f9e_8c3e_ce59af11453b ; rdfs:domain :EMMO_bc37743c_37c4_4ec7_9d58_d1aae5567352 ; rdfs:range :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 ; skos:example """This relation can be used to relate a material to a chemical composition quantity of one of its chemical species. For example, the amount of aluminium in substance subst:alloy1 can be expressed as: ```turtle subst:alloy1 a emmo:Substance ; emmo:hasChemicalComposition [ a emmo:SingleComponentComposition ; emmo:hasSpeciesPart [ a emmo:AluminiumSymbol ] ; emmo:hasQuantityPart [ a emmo:MassFraction ; hasSIQuantityValue \"98.1 wt%\"^^emmo:SIQuantityDatatype ] ] . ```"""@en ; skos:prefLabel "hasChemicalComposition"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Relates a substance to chemical composition."@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "This property is often used to relate a substance directly to SingleComponentComposition indifiduals for each of its components."@en . ### https://w3id.org/emmo#EMMO_7aec67a4_fb96_47c6_80a3_8fea557b2cbb :EMMO_7aec67a4_fb96_47c6_80a3_8fea557b2cbb rdf:type owl:ObjectProperty ; rdfs:subPropertyOf :EMMO_eb3518bf_f799_4f9e_8c3e_ce59af11453b ; rdfs:domain :EMMO_bc37743c_37c4_4ec7_9d58_d1aae5567352 ; rdfs:range :EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 ; skos:prefLabel "hasChemicalSpecies"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Relates a substance to one of its chemical species."@en . ### https://w3id.org/emmo#EMMO_95d706e4_8b16_48a1_8dfd_40ccd4df1c12 :EMMO_95d706e4_8b16_48a1_8dfd_40ccd4df1c12 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; rdf:type owl:AsymmetricProperty , owl:IrreflexiveProperty ; rdfs:domain :EMMO_89a0c87c_0804_4013_937a_6fe234d9499c ; rdfs:range :EMMO_0650c031_42b6_4f0a_b62d_d88f071da6bf ; skos:prefLabel "hasQuantityPart"@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "Relates a symbolic construct to one of its quantity parts."@en . ################################################################# # Data properties ################################################################# ### https://w3id.org/emmo#EMMO_40c65eb4_5b58_4b13_8752_9976582380af :EMMO_40c65eb4_5b58_4b13_8752_9976582380af rdf:type owl:DatatypeProperty ; rdfs:subPropertyOf :EMMO_23b579e1_8088_45b5_9975_064014026c42 ; rdfs:domain :EMMO_d357e0dd_3497_4590_af6f_7954db7fecf7 ; skos:prefLabel "chemicalSymbolValue"@en . ################################################################# # Classes ################################################################# ### https://w3id.org/emmo#EMMO_04b3300c_98bd_42dc_a3b5_e6c29d69f1ac :EMMO_04b3300c_98bd_42dc_a3b5_e6c29d69f1ac rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_0eabfde6_c6c5_4b1f_bf10_e4e0e06e9b2e :EMMO_0eabfde6_c6c5_4b1f_bf10_e4e0e06e9b2e rdf:type owl:Class ; rdfs:subClassOf :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_172e2c96_180b_40f8_a3e7_b624471f40c2 ] ; skos:prefLabel "TotalComposition"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language construct that represents fraction or amount of all constituents of a substance."@en . ### https://w3id.org/emmo#EMMO_16a3bd5c_75f0_42b3_b000_cb0d018f840e :EMMO_16a3bd5c_75f0_42b3_b000_cb0d018f840e rdf:type owl:Class ; rdfs:subClassOf :EMMO_26586828_3b8c_4d8b_9c6c_0bc2502f26ae , :EMMO_91a0635a_a89a_46de_8928_04a777d145c7 ; skos:prefLabel "IUPACName"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Name of a chemical according to the IUPAC standard."@en . ### https://w3id.org/emmo#EMMO_16f2fe60_2db7_43ca_8fee_5b3e416bfe87 :EMMO_16f2fe60_2db7_43ca_8fee_5b3e416bfe87 rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_172e2c96_180b_40f8_a3e7_b624471f40c2 :EMMO_172e2c96_180b_40f8_a3e7_b624471f40c2 rdf:type owl:Class ; rdfs:subClassOf :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_18fdd2cd_4b0a_43a5_a938_66d8290a066c ; owl:someValuesFrom :EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 ] , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_95d706e4_8b16_48a1_8dfd_40ccd4df1c12 ; owl:someValuesFrom :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb ] ; skos:prefLabel "SingleComponentComposition"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language construct that represents the fraction or amount of a single constituent of a substance."@en . ### https://w3id.org/emmo#EMMO_21205421_5783_4d3e_81e5_10c5d894a88a :EMMO_21205421_5783_4d3e_81e5_10c5d894a88a rdfs: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,""" ; skos:example "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." , "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." . ### https://w3id.org/emmo#EMMO_26586828_3b8c_4d8b_9c6c_0bc2502f26ae :EMMO_26586828_3b8c_4d8b_9c6c_0bc2502f26ae rdf:type owl:Class ; rdfs:subClassOf :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b ; skos:prefLabel "ChemicalName"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Name of a chemical according to a standard."@en . ### https://w3id.org/emmo#EMMO_4208f937_8bad_47cf_af46_4ada75e63adb :EMMO_4208f937_8bad_47cf_af46_4ada75e63adb rdf:type owl:Class ; rdfs:subClassOf :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf ] ; skos:example "Hydrogen peroxide is H2O2" ; skos:prefLabel "MolecularFormula"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number." . ### https://w3id.org/emmo#EMMO_436b11bd_1756_4821_9f14_c9ed6b67552e :EMMO_436b11bd_1756_4821_9f14_c9ed6b67552e rdf:type owl:Class ; rdfs:subClassOf :EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea ; skos:altLabel "PureSubstance"@en ; skos:prefLabel "ElementalSubstance"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A chemical substance composed of atoms with the same number of protons in the atomic nucleus." ; :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.C01022" . ### https://w3id.org/emmo#EMMO_47338839_6cca_4a8e_b565_3c4d5517e2c0 :EMMO_47338839_6cca_4a8e_b565_3c4d5517e2c0 rdf:type owl:Class ; rdfs:subClassOf :EMMO_5b2222df_4da6_442f_8244_96e9e45887d1 ; owl:disjointUnionOf ( :EMMO_21205421_5783_4d3e_81e5_10c5d894a88a :EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea ) ; rdfs:comment """A chemical entity comprises the two different ways to represents matter: as single recognizable particle entity (molecular entity) and as a composition of particle entities (substance). This distinction is not well assessed in actual chemical nomenclature, in which an element name refers to both the pure elemental substance or the atom. In the EMMO we force the adoption of a more strict categorization based on mereotopology. The class Material hosts the subclasses for which a substance can be identified without necessarily considering its nature of molecule/atom or substance (e.g. hydrocarbon is the class of both hydrocarbon molecules or gases).""" ; skos:prefLabel "ChemicalEntity"@en . ### https://w3id.org/emmo#EMMO_4e659c69_ca2d_4569_8a96_f99857a1fa32 :EMMO_4e659c69_ca2d_4569_8a96_f99857a1fa32 rdf:type owl:Class ; rdfs:subClassOf :EMMO_e2b11f6a_4191_427e_9844_2e0ac88dfc8b ; owl:disjointWith :EMMO_704630b8_fee3_49b9_baca_40e2dd276370 ; skos:prefLabel "InorganicCompound"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A chemical compound that is not organic."@en . ### https://w3id.org/emmo#EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf :EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf rdf:type owl:Class ; rdfs:subClassOf :EMMO_a1083d0a_c1fb_471f_8e20_a98f881ad527 , :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e ; rdfs:comment """The IUPAC Gold Book defines the a chemical element both as: - a species of atoms; all atoms with the same number of protons in the atomic nucleus - a pure chemical substance composed of atoms with the same number of protons in the atomic nucleus This qualifies a chemical element as a name and not a matter obejct that can stand for an atom or a substance.""" ; rdfs:seeAlso "http://publications.iupac.org/ci/2005/2701/ud.html" ; skos:prefLabel "ChemicalElement"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The symbol for a specific chemical element, that can stand both for an atom or a substance." ; :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.C01022" . ### https://w3id.org/emmo#EMMO_643d99dd_fae6_4121_a76f_47f486a4480b :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b rdf:type owl:Class ; rdfs:subClassOf :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e ; rdfs:comment "A chemical numenclature should not be confused with the chemical formula." ; skos:prefLabel "ChemicalNomenclature"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language object following a specific nomenclature rules for defining univocal names of chemical compounds." . ### https://w3id.org/emmo#EMMO_6afdb7e8_2a0b_444d_bde3_8d67d98180c0 :EMMO_6afdb7e8_2a0b_444d_bde3_8d67d98180c0 rdf:type owl:Class ; rdfs:subClassOf :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 ; skos:example "Hydrogen peroxide is HO" ; skos:prefLabel "EmpiricalFormula"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An expression that provide information about the element type of a compound and their relative ratio." . ### https://w3id.org/emmo#EMMO_704630b8_fee3_49b9_baca_40e2dd276370 :EMMO_704630b8_fee3_49b9_baca_40e2dd276370 rdf:type owl:Class ; rdfs:subClassOf :EMMO_e2b11f6a_4191_427e_9844_2e0ac88dfc8b ; dcterms:source "https://goldbook.iupac.org"^^xsd:anyURI ; skos:prefLabel "OrganicCompound"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """A chemical compound containing carbon atoms. -- IUPAC"""@en ; :EMMO_c7b62dd7_063a_4c2a_8504_42f7264ba83f "The definition of organic compound is based on the IUPAC Gold Book. However, sometimes an organic compound is defined as a chemical compound that contains a carbon–hydrogen or carbon–carbon bond. Also, some carbon-containing compounds are typically not classified as organic, like carbides, carbonates, and cyanides."@en . ### https://w3id.org/emmo#EMMO_7c055d65_2929_40e1_af4f_4bf10995ad50 :EMMO_7c055d65_2929_40e1_af4f_4bf10995ad50 rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_7c055d65_2929_40e1_af4f_4bf10995ad50 :EMMO_7c055d65_2929_40e1_af4f_4bf10995ad50 rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 rdf:type owl:Class ; owl:equivalentClass [ rdf:type owl:Class ; owl:unionOf ( :EMMO_0eabfde6_c6c5_4b1f_bf10_e4e0e06e9b2e :EMMO_172e2c96_180b_40f8_a3e7_b624471f40c2 :EMMO_90963312_d9a9_4474_8d10_835aef5b168e ) ] ; rdfs:subClassOf :EMMO_bd8db028_aec2_4a44_ad93_1a9f8270f72c ; skos:prefLabel "ChemicalComposition"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language construct that provides information about the consitutents of a substance and their fractions or amounts." . ### https://w3id.org/emmo#EMMO_90963312_d9a9_4474_8d10_835aef5b168e :EMMO_90963312_d9a9_4474_8d10_835aef5b168e rdf:type owl:Class ; rdfs:subClassOf :EMMO_7efd64d1_05a1_49cd_a7f0_783ca050d4f3 , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_172e2c96_180b_40f8_a3e7_b624471f40c2 ] ; skos:prefLabel "PartialComposition"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language construct that represents fraction or amount of some (but not all) constituents of a substance."@en . ### https://w3id.org/emmo#EMMO_91a0635a_a89a_46de_8928_04a777d145c7 :EMMO_91a0635a_a89a_46de_8928_04a777d145c7 rdf:type owl:Class ; rdfs:subClassOf :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b ; skos:prefLabel "IUPACNomenclature"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Chemical nomenclauture following the IUPAC standard."@en . ### https://w3id.org/emmo#EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 rdf:type owl:Class ; rdfs:subClassOf :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e , [ rdf:type owl:Restriction ; owl:onProperty :EMMO_b2282816_b7a3_44c6_b2cb_3feff1ceb7fe ; owl:someValuesFrom :EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf ] ; rdfs:comment "A chemical formula may also include other symbols such as parentheses, plus and minus signs, brackets" ; skos:prefLabel "ChemicalFormula"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbolic construct that provides informations about the chemical proportions of the elements that constitute a chemical compound or a specific molecule." . ### https://w3id.org/emmo#EMMO_9fa966c7_5231_409e_841f_b4c5fd33732a :EMMO_9fa966c7_5231_409e_841f_b4c5fd33732a rdf:type owl:Class ; rdfs:subClassOf :EMMO_21205421_5783_4d3e_81e5_10c5d894a88a ; skos:prefLabel "PolyatomicEntity"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "An entity made of two or more bonded atoms."@en . ### https://w3id.org/emmo#EMMO_a14dd591_8b7a_4847_8c91_3a2f421a45b4 :EMMO_a14dd591_8b7a_4847_8c91_3a2f421a45b4 rdf:type owl:Class ; rdfs:subClassOf :EMMO_9fa966c7_5231_409e_841f_b4c5fd33732a ; skos:example "Protein, nucleic acid, or synthetic polymer."@en ; skos:prefLabel "Macromolecule"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A polyatomic entity containing a very large number of atoms."@en . ### https://w3id.org/emmo#EMMO_a466b60b_d973_4b8f_897f_d0b837a59df3 :EMMO_a466b60b_d973_4b8f_897f_d0b837a59df3 rdf:type owl:Class ; rdfs:subClassOf :EMMO_ecc4efe9_77a2_47e3_8190_f9a883d54ac6 ; skos:prefLabel "StructuralFormula"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A graphical representation of a molecular structure showing the relative position in space of the atomic constituents and their bonds." . ### https://w3id.org/emmo#EMMO_a8eb87b5_4d10_4137_a75c_e04ee59ca095 :EMMO_a8eb87b5_4d10_4137_a75c_e04ee59ca095 rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e rdf:type owl:Class ; rdfs:subClassOf :EMMO_d8d2144e_5c8d_455d_a643_5caf4d8d9df8 ; skos:prefLabel "Chemical"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A language object that follows the syntactic rules used in the chemical field." . ### https://w3id.org/emmo#EMMO_bd8db028_aec2_4a44_ad93_1a9f8270f72c :EMMO_bd8db028_aec2_4a44_ad93_1a9f8270f72c rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( :EMMO_89a0c87c_0804_4013_937a_6fe234d9499c :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e ) ; rdf:type owl:Class ] ; skos:example "H2O"@en ; skos:prefLabel "ChemicalSymbolicConstruct"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbolic construct that stands for a chemical."@en . ### https://w3id.org/emmo#EMMO_bf836c2b_7800_474d_b674_f5d629fa0bb1 :EMMO_bf836c2b_7800_474d_b674_f5d629fa0bb1 rdf:type owl:Class ; rdfs:subClassOf :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 ; skos:example "An expression that provides information about the element types that constiture a molecule or a molecular substance and their number, together with simple information about the connectivity of its groups by using parenthesis or by goruping element names according to its molecular structure." ; skos:prefLabel "CondensedFormula"@en . ### https://w3id.org/emmo#EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 :EMMO_cbcf8fe6_6da6_49e0_ab4d_00f737ea9689 rdf:type owl:Class ; owl:equivalentClass [ rdf:type owl:Class ; owl:unionOf ( :EMMO_4f40def1_3cd7_4067_9596_541e9a5134cf :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b :EMMO_9236d0aa_cb39_43a1_bbdd_6a2a714951c8 ) ] ; rdfs:subClassOf :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e ; rdfs:comment """Following nominalistic approach a species is simply a name that can point to an element name, a chemical formula or a chemical compound. So everything addressed by these classes of names can be calleded a chemical species.""" , """N2 Methane CH4 Fe Sodium Chloride""" ; skos:prefLabel "ChemicalSpecies"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 """Specific form of an element defined as to isotopic composition, electronic or oxidation state, and/or complex or molecular structure. Chemical species is the macroscopic equivalent of molecular entity and refers to sets or ensembles of molecular entities.""" ; :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.CT06859" . ### https://w3id.org/emmo#EMMO_d2a47cd8_662f_438f_855a_b4378eb992ff :EMMO_d2a47cd8_662f_438f_855a_b4378eb992ff rdf:type owl:Class ; rdfs:subClassOf :EMMO_643d99dd_fae6_4121_a76f_47f486a4480b ; skos:example "Water is 7732-18-5" ; skos:prefLabel "CASRN"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Chemical Abstact Service registry number for a chemical substance from the American Chemical Society" . ### https://w3id.org/emmo#EMMO_d357e0dd_3497_4590_af6f_7954db7fecf7 :EMMO_d357e0dd_3497_4590_af6f_7954db7fecf7 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( :EMMO_a1083d0a_c1fb_471f_8e20_a98f881ad527 :EMMO_abf7efbe_6b04_41b8_8326_4dd0f6be753e ) ; rdf:type owl:Class ] ; skos:example """\"H\" \"He\" \"Li\" ..."""@en ; skos:prefLabel "ChemicalSymbol"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A symbol that stands for a chemical element."@en . ### https://w3id.org/emmo#EMMO_d5be1faf_0c56_4f5a_9b78_581e6dee949f :EMMO_d5be1faf_0c56_4f5a_9b78_581e6dee949f rdfs:subClassOf :EMMO_a293f923_954c_4af5_9f97_9600ebd362cb . ### https://w3id.org/emmo#EMMO_d74ed682_894f_46c5_87cb_167f60926965 :EMMO_d74ed682_894f_46c5_87cb_167f60926965 rdf:type owl:Class ; rdfs:subClassOf :EMMO_91a0635a_a89a_46de_8928_04a777d145c7 ; skos:prefLabel "InChI"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "The International Chemical Identifier (InChI) textual identifier proposed by IUPAC to provide a standard encoding for databases of molecular information." . ### https://w3id.org/emmo#EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea :EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea rdf:type owl:Class ; rdfs:subClassOf :EMMO_bc37743c_37c4_4ec7_9d58_d1aae5567352 ; rdfs:comment "A substance is always composed of more than one molecular entity. It lays in the continuum or mesoscopic domain." ; skos:prefLabel "ChemicalSubstance"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "Matter of constant composition best characterized by the entities (molecules, formula units, atoms) it is composed of." ; :EMMO_fe015383_afb3_44a6_ae86_043628697aa2 "https://doi.org/10.1351/goldbook.C01039" . ### https://w3id.org/emmo#EMMO_e2b11f6a_4191_427e_9844_2e0ac88dfc8b :EMMO_e2b11f6a_4191_427e_9844_2e0ac88dfc8b rdf:type owl:Class ; rdfs:subClassOf :EMMO_df96cbb6_b5ee_4222_8eab_b3675df24bea ; skos:prefLabel "ChemicalCompound"@en ; :EMMO_8a137e9f_579c_4e28_baca_e8980eb0c3db "DisjointUnionOf InorganicCompound, OrganicCompound" ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A chemical substance composed of many identical molecules (or molecular entities) composed of atoms from more than one element held together by chemical bonds." ; :EMMO_c84c6752_6d64_48cc_9500_e54a3c34898d "https://en.wikipedia.org/wiki/Chemical_compound" . ### https://w3id.org/emmo#EMMO_ecc4efe9_77a2_47e3_8190_f9a883d54ac6 :EMMO_ecc4efe9_77a2_47e3_8190_f9a883d54ac6 rdf:type owl:Class ; rdfs:subClassOf :EMMO_eb7de1a1_c30e_4f0d_94c6_fe70414d7e61 ; skos:prefLabel "ChemicalRepresentation"@en ; :EMMO_967080e5_2f42_4eb2_a3a9_c58143e835f9 "A representation of objects belonging to the chemistry field." . ### Generated by the OWL API (version 4.5.29.2024-05-13T12:11:03Z) https://github.com/owlcs/owlapi