<?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:metadata="http://data.bioontology.org/metadata/" xmlns:ns0="http://purl.obolibrary.org/obo/chebi#" xmlns:ns1="http://purl.obolibrary.org/obo/chebi#"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_53654"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_52343"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23066"/> <skos:notation>CHEBI:53654</skos:notation> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53654"/> <metadata_def:mappingLoom>oformylcefamandole</metadata_def:mappingLoom> <rdfs:label>O-formylcefamandole</rdfs:label> <metadata_def:prefLabel>O-formylcefamandole</metadata_def:prefLabel> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <oboinowl_gen:hasExactSynonym>6beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid</oboinowl_gen:hasExactSynonym> <obo_purl:IAO_0000115>A cephalosporin compound having (R)-O-formylmandelamido and N-methylthiotetrazole side groups. It is used (as the sodium salt) as a progrug for cefamandole.</obo_purl:IAO_0000115> <oboinowl_gen:id>CHEBI:53654</oboinowl_gen:id> <oboinowl_gen:hasRelatedSynonym>(6R,7R)-7-{[(2R)-2-(formyloxy)-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasDbXref>Beilstein:5406414</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:57268-80-1</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:528</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50266"/> <obo_purl:RO_0000087 rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33282"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_52343"/> <metadata:treeView rdf:resource="http://purl.obolibrary.org/obo/CHEBI_23066"/> <obo_purl:chebi/smiles>[H]C(=O)O[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(O)=O)=C(CSc3nnnn3C)CS[C@]12[H])c1ccccc1</obo_purl:chebi/smiles> <ns0:is_conjugate_acid_of rdf:resource="http://purl.obolibrary.org/obo/CHEBI_73088"/> <obo_purl:chebi/formula>C19H18N6O6S2</obo_purl:chebi/formula> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/mass>490.51300</obo_purl:chebi/mass> <obo_purl:chebi/inchikey>RRJHESVQVSRQEX-SUYBPPKGSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/monoisotopicmass>490.07292</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/inchi>InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1</obo_purl:chebi/inchi> <ns1:has_functional_parent rdf:resource="http://purl.obolibrary.org/obo/CHEBI_3480"/> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_73088"> <ns0:is_conjugate_base_of> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_53654"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_53654"/> </rdf:Description> </ns0:is_conjugate_base_of> </rdf:Description> </rdf:RDF>