{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_131950", "lang" : "en", "description" : [ "A 3-oxo monocarboxylic acid that is benzoylacetic acid substituted at position 2 on the benzene ring by an amino group." ], "synonyms" : [ "3-(2-aminophenyl)-3-oxopropanoic acid" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C9H9NO3" ], "has_dbxref" : [ "PMID:25960261", "Reaxys:3259227" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:131950" ], "inchi" : [ "InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13)" ], "inchikey" : [ "POAXUNDIOGWQOC-UHFFFAOYSA-N" ], "mass" : [ "179.173" ], "monoisotopicmass" : [ "179.05824" ], "smiles" : [ "C=1(C(=CC=CC1)N)C(CC(O)=O)=O" ] }, "label" : "2-aminobenzoylacetic acid", "ontology_name" : "chebi", "ontology_prefix" : "CHEBI", "ontology_iri" : "http://purl.obolibrary.org/obo/chebi.owl", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : true, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_131950", "obo_id" : "CHEBI:131950", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "PMID", "id" : "25960261", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/25960261" }, { "database" : "Reaxys", "id" : "3259227", "description" : "Reaxys", "url" : null } ], "obo_synonym" : [ { "name" : "3-(2-aminophenyl)-3-oxopropanoic acid", "scope" : "hasExactSynonym", "type" : "IUPAC NAME", "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" }, "is_conjugate_acid_of" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252Fchebi%2523is_conjugate_acid_of" }, "has_functional_parent" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_131950/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252Fchebi%2523has_functional_parent" } } }