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CHEBI:140184 - hydroxyfenbendazole

ChEBI IDCHEBI:140184
ChEBI Namehydroxyfenbendazole
Stars
DefinitionA member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group.
Last Modified8 May 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H13N3O3S
Net Charge0
Average Mass315.354
Monoisotopic Mass315.06776
SMILESCOC(=O)Nc1nc2ccc(Sc3ccc(O)cc3)cc2n1
InChIInChI=1S/C15H13N3O3S/c1-21-15(20)18-14-16-12-7-6-11(8-13(12)17-14)22-10-4-2-9(19)3-5-10/h2-8,19H,1H3,(H2,16,17,18,20)
InChIKeyKFNQNAKZKBFJAZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (23959307)
Anas platyrhynchos (ncbitaxon:8839) liver (BTO:0000759) PubMed (3212936)
Gallus gallus (ncbitaxon:9031) liver (BTO:0000759) PubMed (3212936)
Ictalurus punctatus (ncbitaxon:7998) liver (BTO:0000759) PubMed (2382406)
Bos taurus (ncbitaxon:9913) liver (BTO:0000759) PubMed (3212936)
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) PubMed (3212936)
Ovis aries (ncbitaxon:9940) liver (BTO:0000759) PubMed (3212936)
Oryctolagus cuniculus (ncbitaxon:9986) liver (BTO:0000759) PubMed (3212936)
Capra hircus (ncbitaxon:9925) liver (BTO:0000759) PubMed (3212936)
Meleagris gallopavo (ncbitaxon:9103) liver (BTO:0000759) PubMed (3212936)
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
hydroxyfenbendazole (CHEBI:140184) has functional parent fenbendazole (CHEBI:77092)
hydroxyfenbendazole (CHEBI:140184) has role drug metabolite (CHEBI:49103)
hydroxyfenbendazole (CHEBI:140184) has role marine xenobiotic metabolite (CHEBI:83399)
hydroxyfenbendazole (CHEBI:140184) is a aryl sulfide (CHEBI:35683)
hydroxyfenbendazole (CHEBI:140184) is a benzimidazoles (CHEBI:22715)
hydroxyfenbendazole (CHEBI:140184) is a carbamate ester (CHEBI:23003)
hydroxyfenbendazole (CHEBI:140184) is a phenols (CHEBI:33853)
Synonyms  Source
4-HydroxyfenbendazoleChemIDplus
Fbz-OHChemIDplus
5-(p-Hydroxyphenyl)thio-2-carbomethoxyaminobenzimidazoleChemIDplus
UniProt Name  Source
4'-hydroxyfenbendazoleUniProt
Manual XrefsDatabases
CPD-20525MetaCyc
Registry NumbersSources
Reaxys:8395578Reaxys
CAS:72447-64-4ChemIDplus
Citations