{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_59124", "lang" : "en", "description" : [ "A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid." ], "synonyms" : [ "2-sulfanylbenzoic acid", "2-Carboxythiophenol", "2-Mercaptobenzoic acid", "2-Sulfanylbenzoic acid", "2-Thiosalicylic acid", "Thiophenol-2-carboxylic acid", "o-Benzoic acid thiol", "o-Carboxythiophenol", "o-Mercaptobenzoesaeure", "o-Mercaptobenzoic acid", "o-Sulfhydrylbenzoic acid", "o-Thiosalicylic acid" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C7H6O2S" ], "has_dbxref" : [ "CAS:147-93-3", "Drug_Central:4856", "Gmelin:3838", "KEGG:D08586", "PDBeChem:JKE", "PMID:1650428", "PMID:23934301", "PMID:24369647", "PMID:24728505", "Patent:DE189200", "Patent:DE205450", "Reaxys:508507", "Wikipedia:Thiosalicylic_acid" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:59124" ], "inchi" : [ "InChI=1S/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)" ], "inchikey" : [ "NBOMNTLFRHMDEZ-UHFFFAOYSA-N" ], "mass" : [ "154.18600" ], "monoisotopicmass" : [ "154.00885" ], "smiles" : [ "OC(=O)c1ccccc1S" ] }, "label" : "thiosalicylic 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_59124", "obo_id" : "CHEBI:59124", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "CAS", "id" : "147-93-3", "description" : "KEGG DRUG", "url" : null }, { "database" : "CAS", "id" : "147-93-3", "description" : "ChemIDplus", "url" : null }, { "database" : "CAS", "id" : "147-93-3", "description" : "NIST Chemistry WebBook", "url" : null }, { "database" : "Drug_Central", "id" : "4856", "description" : "DrugCentral", "url" : "http://drugcentral.org/drugcard/4856" }, { "database" : "Gmelin", "id" : "3838", "description" : "Gmelin", "url" : null }, { "database" : "KEGG", "id" : "D08586", "description" : null, "url" : "http://www.kegg.jp/entry/D08586" }, { "database" : "PDBeChem", "id" : "JKE", "description" : null, "url" : "https://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/JKE" }, { "database" : "PMID", "id" : "1650428", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/1650428" }, { "database" : "PMID", "id" : "23934301", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/23934301" }, { "database" : "PMID", "id" : "24369647", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/24369647" }, { "database" : "PMID", "id" : "24728505", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/24728505" }, { "database" : "Patent", "id" : "DE189200", "description" : null, "url" : "https://www.google.com/patents/DE189200" }, { "database" : "Patent", "id" : "DE205450", "description" : null, "url" : "https://www.google.com/patents/DE205450" }, { "database" : "Reaxys", "id" : "508507", "description" : "Reaxys", "url" : null }, { "database" : "Wikipedia", "id" : "Thiosalicylic_acid", "description" : null, "url" : "http://en.wikipedia.org/wiki/Thiosalicylic_acid" } ], "obo_synonym" : [ { "name" : "2-sulfanylbenzoic acid", "scope" : "hasExactSynonym", "type" : "IUPAC NAME", "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "2-Carboxythiophenol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "2-Mercaptobenzoic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "2-Sulfanylbenzoic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "2-Thiosalicylic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "Thiophenol-2-carboxylic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "o-Benzoic acid thiol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "o-Carboxythiophenol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "o-Mercaptobenzoesaeure", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "o-Mercaptobenzoic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "o-Sulfhydrylbenzoic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "o-Thiosalicylic acid", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "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_59124?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/chebi/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_59124/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_59124/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252Fchebi%2523is_conjugate_acid_of" } } }