CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_53654 http://purl.obolibrary.org/obo/CHEBI_53654 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_53654 Loading
Preferred name	O-formylcefamandole
Synonyms	6beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid (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
Definitions	A cephalosporin compound having (R)-O-formylmandelamido and N-methylthiotetrazole side groups. It is used (as the sodium salt) as a progrug for cefamandole.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl: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:charge	0
obo_purl:inchikey	RRJHESVQVSRQEX-SUYBPPKGSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_33282 http://purl.obolibrary.org/obo/CHEBI_50266
oboinowl_gen:hasDbXref	Drug_Central:528 CAS:57268-80-1 Beilstein:5406414
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.
skos:notation	CHEBI:53654
oboinowl_gen:hasExactSynonym	6beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid
obo_purl:mass	490.51300
obo_purl: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:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_3480
obo_purl:formula	C19H18N6O6S2
obo_purl:is_conjugate_acid_of	http://purl.obolibrary.org/obo/CHEBI_73088
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
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
rdfs:label	O-formylcefamandole
obo_purl:monoisotopicmass	490.07292
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_52343

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