Chemical Entities of Biological Interest Ontology / 生物相关的化学实体本体

Last uploaded: September 7, 2023

Preferred Name	sulnidazole
Synonyms	O-methyl N-[2-(2-ethyl-5-nitroimidazol-1-yl)ethyl]carbamothioate
ID	http://purl.obolibrary.org/obo/CHEBI_177595
charge	0
database_cross_reference	CAS:51022-76-5 KEGG:D05966 Chemspider:2300988
formula	C9H14N4O3S
has_exact_synonym	O-methyl N-[2-(2-ethyl-5-nitroimidazol-1-yl)ethyl]carbamothioate
has_obo_namespace	chebi_ontology
id	CHEBI:177595
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C9H14N4O3S/c1-3-7-11-6-8(13(14)15)12(7)5-4-10-9(17)16-2/h6H,3-5H2,1-2H3,(H,10,17)
inchikey	BDRFWSJMVOBAHR-UHFFFAOYSA-N
label	sulnidazole
mass	258.300
monoisotopicmass	258.07866
notation	CHEBI:177595
prefLabel	sulnidazole
smiles	S=C(OC)NCCN1C(=NC=C1[N+]([O-])=O)CC
treeView	http://purl.obolibrary.org/obo/CHEBI_35716 http://purl.obolibrary.org/obo/CHEBI_24780
subClassOf	http://purl.obolibrary.org/obo/CHEBI_35716 http://purl.obolibrary.org/obo/CHEBI_24780

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Delete	Mapping To	Ontology	Source
	http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C73278	National Cancer Institute Thesaurus / 美国国家癌症研究所词典	LOOM