@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 ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_53654
metadata_def:mappingLoom "oformylcefamandole" ;
metadata_def:mappingSameURI obo_purl:CHEBI_53654 ;
metadata_def:prefLabel "O-formylcefamandole" ;
metadata:treeView obo_purl:CHEBI_23066, obo_purl:CHEBI_52343 ;
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:RO_0000087 obo_purl:CHEBI_33282, obo_purl:CHEBI_50266 ;
ns1:has_functional_parent obo_purl:CHEBI_3480 ;
ns1:is_conjugate_acid_of obo_purl:CHEBI_73088 ;
ns0:charge "0" ;
ns0:formula "C19H18N6O6S2" ;
ns0: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" ;
ns0:inchikey "RRJHESVQVSRQEX-SUYBPPKGSA-N" ;
ns0:mass "490.51300" ;
ns0:monoisotopicmass "490.07292" ;
ns0: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" ;
oboinowl_gen:hasDbXref "Beilstein:5406414", "CAS:57268-80-1", "Drug_Central:528" ;
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:hasOBONamespace "chebi_ontology" ;
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:id "CHEBI:53654" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "O-formylcefamandole" ;
rdfs:subClassOf obo_purl:CHEBI_23066, obo_purl:CHEBI_52343 ;
skos:notation "CHEBI:53654" .
obo_purl:CHEBI_73088
ns1:is_conjugate_base_of obo_purl:CHEBI_53654 .
@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 ns0: <http://purl.obolibrary.org/obo/chebi/> .
@prefix metadata_def: <http://data.bioontology.org/metadata/def/> .
@prefix oboinowl_gen: <http://www.geneontology.org/formats/oboInOwl#> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix metadata: <http://data.bioontology.org/metadata/> .
@prefix ns1: <http://purl.obolibrary.org/obo/chebi#> .
obo_purl:CHEBI_53654
metadata_def:mappingLoom "oformylcefamandole" ;
metadata_def:mappingSameURI obo_purl:CHEBI_53654 ;
metadata_def:prefLabel "O-formylcefamandole" ;
metadata:treeView obo_purl:CHEBI_23066, obo_purl:CHEBI_52343 ;
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:RO_0000087 obo_purl:CHEBI_33282, obo_purl:CHEBI_50266 ;
ns1:has_functional_parent obo_purl:CHEBI_3480 ;
ns1:is_conjugate_acid_of obo_purl:CHEBI_73088 ;
ns0:charge "0" ;
ns0:formula "C19H18N6O6S2" ;
ns0: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" ;
ns0:inchikey "RRJHESVQVSRQEX-SUYBPPKGSA-N" ;
ns0:mass "490.51300" ;
ns0:monoisotopicmass "490.07292" ;
ns0: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" ;
oboinowl_gen:hasDbXref "Beilstein:5406414", "CAS:57268-80-1", "Drug_Central:528" ;
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:hasOBONamespace "chebi_ontology" ;
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:id "CHEBI:53654" ;
oboinowl_gen:inSubset <http://purl.obolibrary.org/obo/chebi#3_STAR> ;
a owl:Class ;
rdfs:label "O-formylcefamandole" ;
rdfs:subClassOf obo_purl:CHEBI_23066, obo_purl:CHEBI_52343 ;
skos:notation "CHEBI:53654" .
obo_purl:CHEBI_73088
ns1:is_conjugate_base_of obo_purl:CHEBI_53654 .