Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Id	http://purl.obolibrary.org/obo/CHEBI_135437 http://purl.obolibrary.org/obo/CHEBI_135437
Preferred Name	cefacetrile
Synonyms	cephacetril cefacetrile sodium cephacetrile
Type	http://www.w3.org/2002/07/owl#Class

label	cefacetrile
prefLabel	cefacetrile
database_cross_reference	Drug_Central:524 HMDB:HMDB0015484 CAS:10206-21-0
notation	CHEBI:135437
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C13H13N3O6S/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21)/t9-,12-/m1/s1
has_related_synonym	cephacetril cefacetrile sodium cephacetrile
id	CHEBI:135437
charge	0
has_obo_namespace	chebi_ontology
formula	C13H13N3O6S
subClassOf	http://purl.obolibrary.org/obo/CHEBI_23066
inchikey	RRYMAQUWDLIUPV-BXKDBHETSA-N
mass	339.325
monoisotopicmass	339.05251
type	http://www.w3.org/2002/07/owl#Class
smiles	C(O)(=O)C=1N2[C@@]([C@@H](C2=O)NC(CC#N)=O)(SCC1COC(C)=O)[H]
alternative term	cephacetril cefacetrile sodium cephacetrile

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