<?xml version="1.0" encoding="UTF-8"?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:ns0="https://w3id.org/chemrof/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/">
<owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_46215">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<skos:notation>CHEBI:46215</skos:notation>
<obo_purl:IAO_0000115>An <em>O</em>-sulfoamino acid that is <small>L</small>-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group.</obo_purl:IAO_0000115>
<rdfs:label>O(4')-sulfo-L-tyrosine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C9H11NO6S</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>CIQHWLTYGMYQQR-QMMMGPOBSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">261.255</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">261.03071</ns0:monoisotopic_mass>
<ns0:smiles_string>N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O</ns0:smiles_string>
<oboinowl_gen:hasDbXref>cas:956-46-7</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>lincs.smallmolecule:LSM-36390</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pdb-ccd:TYS</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:26449609</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:2221342</oboinowl_gen:hasDbXref>
<metadata_def:prefLabel>O(4')-sulfo-L-tyrosine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>(2S)-2-amino-3-[4-(sulfooxy)phenyl]propanoic acid</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>L-Tyrosine O-sulfate</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>O-sulfo-L-tyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Sulfotyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Tyrosine O-sulfate</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Tyrosine sulfate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>o4sulfoltyrosine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_46215"/>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:46215</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<oboinowl_gen:hasAlternativeId>CHEBI:21992</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46078</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46200</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46310</oboinowl_gen:hasAlternativeId>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_46215">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_46215"/>
</rdf:Description>
</rdf:RDF>
<?xml version="1.0" encoding="UTF-8"?>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:ns0="https://w3id.org/chemrof/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/">
<owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_46215">
<rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24431"/>
<skos:notation>CHEBI:46215</skos:notation>
<obo_purl:IAO_0000115>An <em>O</em>-sulfoamino acid that is <small>L</small>-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group.</obo_purl:IAO_0000115>
<rdfs:label>O(4')-sulfo-L-tyrosine</rdfs:label>
<ns0:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns0:charge>
<ns0:generalized_empirical_formula>C9H11NO6S</ns0:generalized_empirical_formula>
<ns0:inchi_key_string>CIQHWLTYGMYQQR-QMMMGPOBSA-N</ns0:inchi_key_string>
<ns0:inchi_string>InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1</ns0:inchi_string>
<ns0:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">261.255</ns0:mass>
<ns0:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">261.03071</ns0:monoisotopic_mass>
<ns0:smiles_string>N[C@@H](Cc1ccc(OS(=O)(=O)O)cc1)C(=O)O</ns0:smiles_string>
<oboinowl_gen:hasDbXref>cas:956-46-7</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>lincs.smallmolecule:LSM-36390</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pdb-ccd:TYS</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>pubmed:26449609</oboinowl_gen:hasDbXref>
<oboinowl_gen:hasDbXref>reaxys:2221342</oboinowl_gen:hasDbXref>
<metadata_def:prefLabel>O(4')-sulfo-L-tyrosine</metadata_def:prefLabel>
<oboinowl_gen:hasRelatedSynonym>(2S)-2-amino-3-[4-(sulfooxy)phenyl]propanoic acid</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>(2S)-2-azanyl-3-(4-sulfooxyphenyl)propanoic acid</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>L-Tyrosine O-sulfate</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>O-sulfo-L-tyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Sulfotyrosine</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Tyrosine O-sulfate</oboinowl_gen:hasRelatedSynonym>
<oboinowl_gen:hasRelatedSynonym>Tyrosine sulfate</oboinowl_gen:hasRelatedSynonym>
<metadata_def:mappingLoom>o4sulfoltyrosine</metadata_def:mappingLoom>
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_46215"/>
<oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace>
<oboinowl_gen:id>CHEBI:46215</oboinowl_gen:id>
<oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
<oboinowl_gen:hasAlternativeId>CHEBI:21992</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46078</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46200</oboinowl_gen:hasAlternativeId>
<oboinowl_gen:hasAlternativeId>CHEBI:46310</oboinowl_gen:hasAlternativeId>
</owl:Class>
<rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_46215">
<metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_46215"/>
</rdf:Description>
</rdf:RDF>