@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <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/> .
obo_purl:CHEBI_31701
metadata_def:mappingLoom "iobitridol" ;
metadata_def:mappingSameURI obo_purl:CHEBI_31701 ;
metadata_def:prefLabel "iobitridol" ;
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:RO_0000087 obo_purl:CHEBI_35703, obo_purl:CHEBI_37338, obo_purl:CHEBI_78298 ;
ns1:charge "0" ;
ns1:formula "C20H28I3N3O9" ;
ns1: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)" ;
ns1:inchikey "YLPBXIKWXNRACS-UHFFFAOYSA-N" ;
ns1:mass "835.16440" ;
ns1:monoisotopicmass "834.89596" ;
ns1: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" ;
oboinowl_gen:hasDbXref "CAS:136949-58-1", "Drug_Central:1449", "KEGG:D01181", "PMID:23341290", "PMID:24531005", "PMID:25238643", "Reaxys:8178996", "Wikipedia:Iobitridol" ;
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:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide" ;
oboinowl_gen:id "CHEBI:31701" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "iobitridol" ;
rdfs:subClassOf obo_purl:CHEBI_37142, obo_purl:CHEBI_37206, obo_purl:CHEBI_38800 ;
skos:notation "CHEBI:31701" .
obo_purl:ECTO_9000592
obo_purl:RO_0002309 obo_purl:CHEBI_31701 .
@prefix rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> .
@prefix obo_purl: <http://purl.obolibrary.org/obo/> .
@prefix owl: <http://www.w3.org/2002/07/owl#> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix ns0: <http://purl.obolibrary.org/obo/chebi#> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi/> .
@prefix ns2: <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/> .
obo_purl:CHEBI_31701
metadata_def:mappingLoom "iobitridol" ;
metadata_def:mappingSameURI obo_purl:CHEBI_31701 ;
metadata_def:prefLabel "iobitridol" ;
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:RO_0000087 obo_purl:CHEBI_35703, obo_purl:CHEBI_37338, obo_purl:CHEBI_78298 ;
ns1:charge "0" ;
ns1:formula "C20H28I3N3O9" ;
ns1: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)" ;
ns1:inchikey "YLPBXIKWXNRACS-UHFFFAOYSA-N" ;
ns1:mass "835.16440" ;
ns1:monoisotopicmass "834.89596" ;
ns1: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" ;
oboinowl_gen:hasDbXref "CAS:136949-58-1", "Drug_Central:1449", "KEGG:D01181", "PMID:23341290", "PMID:24531005", "PMID:25238643", "Reaxys:8178996", "Wikipedia:Iobitridol" ;
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:hasOBONamespace "chebi_ontology" ;
oboinowl_gen:hasRelatedSynonym "N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide" ;
oboinowl_gen:id "CHEBI:31701" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "iobitridol" ;
rdfs:subClassOf obo_purl:CHEBI_37142, obo_purl:CHEBI_37206, obo_purl:CHEBI_38800 ;
skos:notation "CHEBI:31701" .
obo_purl:ECTO_9000592
obo_purl:RO_0002309 obo_purl:CHEBI_31701 .