<?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#" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_136702"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_140325"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38777"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24709"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_140326"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23990"/> <skos:notation>CHEBI:136702</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_136702"/> <metadata_def:mappingLoom>ximelagatranhydroxylamineform</metadata_def:mappingLoom> <metadata_def:prefLabel>ximelagatran (hydroxylamine form)</metadata_def:prefLabel> <obo_purl:IAO_0000115>A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted into the corresponding ethyl ester and in which the amidine group has been converted to the corresponding hydroxylamine. Tautomeric with the oxime form of ximelagatran.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>ethyl ({(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl}amino)acetate</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:hasDbXref>Reaxys:9741940</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:28338626</oboinowl_gen:hasDbXref> <rdfs:label>ximelagatran (hydroxylamine form)</rdfs:label> <oboinowl_gen:id>CHEBI:136702</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns0:is_tautomer_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_65172"/> <obo_purl:chebi/smiles>C1N([C@@](C1)(C(=O)NCC=2C=CC(C(NO)=N)=CC2)[H])C([C@H](NCC(=O)OCC)C3CCCCC3)=O</obo_purl:chebi/smiles> <obo_purl:chebi/formula>C24H35N5O5</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>473.566</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>ZXIBCJHYVWYIKI-PZJWPPBQSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>473.26382</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1</obo_purl:chebi/inchi> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_65172"> <ns0:is_tautomer_of> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_136702"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_136702"/> </rdf:Description> </ns0:is_tautomer_of> </rdf:Description> </rdf:RDF>