<?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:metadata_def="http://data.bioontology.org/metadata/def/" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_31701"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37142"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38800"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37206"/> <skos:notation>CHEBI:31701</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_31701"/> <metadata_def:mappingLoom>iobitridol</metadata_def:mappingLoom> <metadata_def:prefLabel>iobitridol</metadata_def:prefLabel> <obo_purl:IAO_0000115>A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:hasDbXref>PMID:23341290</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:8178996</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:136949-58-1</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Iobitridol</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:25238643</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D01181</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:24531005</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:1449</oboinowl_gen:hasDbXref> <rdfs:label>iobitridol</rdfs:label> <oboinowl_gen:id>CHEBI:31701</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78298"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37338"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35703"/> <obo_purl:chebi/smiles>CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C20H28I3N3O9</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>835.16440</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>YLPBXIKWXNRACS-UHFFFAOYSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>834.89596</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/ECTO_9000592"> <obo_purl:RO_0002309> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_31701"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_31701"/> </rdf:Description> </obo_purl:RO_0002309> </rdf:Description> </rdf:RDF>