diff --git a/chebi_slim.obo b/chebi_slim.obo index e526c0c..5e47d1d 100644 --- a/chebi_slim.obo +++ b/chebi_slim.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: chebi/obophenotype/releases/2024-08-02/chebi_slim.owl +data-version: chebi/obophenotype/releases/2024-09-04/chebi_slim.owl subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" @@ -7,7 +7,7 @@ synonymtypedef: BRAND_NAME "" synonymtypedef: INN "" synonymtypedef: IUPAC_NAME "" ontology: chebi/obophenotype/chebi_slim -property_value: owl:versionInfo "2024-08-02" xsd:string +property_value: owl:versionInfo "2024-09-04" xsd:string [Term] id: CHEBI:100147 @@ -61615,6 +61615,34 @@ property_value: http://purl.obolibrary.org/obo/chebi/mass "12.01070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "12.00000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C]" xsd:string +[Term] +id: CHEBI:27601 +name: pteridine +namespace: chebi_ontology +alt_id: CHEBI:26372 +alt_id: CHEBI:8626 +subset: 3_STAR +synonym: "1,3,5,8-tetraazanaphthalene" RELATED [ChemIDplus] +synonym: "azinepurine" RELATED [ChemIDplus] +synonym: "Pteridine" EXACT [KEGG_COMPOUND] +synonym: "pteridine" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:115341 {source="Beilstein"} +xref: CAS:91-18-9 {source="ChemIDplus"} +xref: CAS:91-18-9 {source="KEGG COMPOUND"} +xref: Gmelin:364077 {source="Gmelin"} +xref: KEGG:C07581 +is_a: CHEBI:26373 ! pteridines +is_a: CHEBI:35570 ! mancude organic heterobicyclic parent +is_a: CHEBI:50893 ! azaarene +is_a: CHEBI:52362 ! ortho-fused heteroarene +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4N4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CPNGPNLZQNNVQM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "132.12292" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.04360" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1cnc2ncncc2n1" xsd:string + [Term] id: CHEBI:27612 name: hydantoin @@ -156154,6 +156182,26 @@ subset: 3_STAR synonym: "ribonucleoside bisphosphates" RELATED [ChEBI] is_a: CHEBI:37123 ! nucleoside bisphosphate +[Term] +id: CHEBI:61089 +name: 4-methyl-5-pentylbenzene-1,3-diol +namespace: chebi_ontology +def: "A resorcinol having methyl and pentyl groups at positions 4 and 5 respectively." [] +subset: 3_STAR +synonym: "4-methyl-5-pentylbenzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] +xref: PMID:17027864 {source="Europe PMC"} +xref: PMID:18252726 {source="SUBMITTER"} +xref: Reaxys:10668241 {source="Reaxys"} +is_a: CHEBI:33572 ! resorcinols +relationship: has_role CHEBI:35610 ! antineoplastic agent +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)8-12(14)9(10)2/h7-8,13-14H,3-6H2,1-2H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CUXFFBBWEJOYAI-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "194.27010" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.13068" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCc1cc(O)cc(O)c1C" xsd:string + [Term] id: CHEBI:61109 name: pyrimidine nucleotide-sugar diff --git a/chebi_slim.owl b/chebi_slim.owl index eb292ee..c87dd2b 100644 --- a/chebi_slim.owl +++ b/chebi_slim.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2024-08-02") + +Annotation(owl:versionInfo "2024-09-04") Declaration(Class()) Declaration(Class()) @@ -2524,6 +2524,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -6748,6 +6749,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -73102,6 +73104,35 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (pteridine) + +AnnotationAssertion( "0") +AnnotationAssertion( "C6H4N4") +AnnotationAssertion( "InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H") +AnnotationAssertion( "CPNGPNLZQNNVQM-UHFFFAOYSA-N") +AnnotationAssertion( "132.12292") +AnnotationAssertion( "132.04360") +AnnotationAssertion( "c1cnc2ncncc2n1") +AnnotationAssertion( "CHEBI:26372") +AnnotationAssertion( "CHEBI:8626") +AnnotationAssertion(Annotation( "Beilstein") "Beilstein:115341") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:91-18-9") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:91-18-9") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:364077") +AnnotationAssertion( "KEGG:C07581") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Pteridine") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pteridine") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChemIDplus") "1,3,5,8-tetraazanaphthalene") +AnnotationAssertion(Annotation( "ChemIDplus") "azinepurine") +AnnotationAssertion( "CHEBI:27601") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "pteridine") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) + # Class: (hydantoin) AnnotationAssertion( "0") @@ -171871,6 +171902,27 @@ AnnotationAssertion( "ribonucleoside bisphosphate") SubClassOf( ) +# Class: (4-methyl-5-pentylbenzene-1,3-diol) + +AnnotationAssertion( "A resorcinol having methyl and pentyl groups at positions 4 and 5 respectively.") +AnnotationAssertion( "0") +AnnotationAssertion( "C12H18O2") +AnnotationAssertion( "InChI=1S/C12H18O2/c1-3-4-5-6-10-7-11(13)8-12(14)9(10)2/h7-8,13-14H,3-6H2,1-2H3") +AnnotationAssertion( "CUXFFBBWEJOYAI-UHFFFAOYSA-N") +AnnotationAssertion( "194.27010") +AnnotationAssertion( "194.13068") +AnnotationAssertion( "CCCCCc1cc(O)cc(O)c1C") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:17027864") +AnnotationAssertion(Annotation( "SUBMITTER") "PMID:18252726") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:10668241") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-methyl-5-pentylbenzene-1,3-diol") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion( "CHEBI:61089") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "4-methyl-5-pentylbenzene-1,3-diol") +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (pyrimidine nucleotide-sugar) AnnotationAssertion( "A nucleotide-sugar whose nucleobase is a pyrimidine.") diff --git a/seed.txt b/seed.txt index 3a31031..18bb5f7 100644 --- a/seed.txt +++ b/seed.txt @@ -1995,6 +1995,7 @@ CHEBI:27570 CHEBI:27573 CHEBI:27584 CHEBI:27594 +CHEBI:27601 CHEBI:27612 CHEBI:27617 CHEBI:2762 @@ -5267,6 +5268,7 @@ CHEBI:61057 CHEBI:61073 CHEBI:61078 CHEBI:61079 +CHEBI:61089 CHEBI:61109 CHEBI:61115 CHEBI:61120