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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:140184 - hydroxyfenbendazole
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ChEBI Ontology
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ChEBI Name
hydroxyfenbendazole
ChEBI ID
CHEBI:140184
Definition
A member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
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Formula
C15H13N3O3S
Net Charge
0
Average Mass
315.349
Monoisotopic Mass
315.06776
InChI
InChI=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)
InChIKey
KFNQNAKZKBFJAZ-UHFFFAOYSA-N
SMILES
C1(=NC2=CC(SC3=CC=C(C=C3)O)=CC=C2N1)NC(=O)OC
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
Found in liver
(BTO:0000759)
. See:
PubMed
Ictalurus punctatus
(NCBI:txid7998)
Found in liver
(BTO:0000759)
. See:
PubMed
Anas platyrhynchos
(NCBI:txid8839)
Found in liver
(BTO:0000759)
. See:
PubMed
Gallus gallus
(NCBI:txid9031)
Found in liver
(BTO:0000759)
. See:
PubMed
Meleagris gallopavo
(NCBI:txid9103)
Found in liver
(BTO:0000759)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Bos taurus
(NCBI:txid9913)
Found in liver
(BTO:0000759)
. See:
PubMed
Capra hircus
(NCBI:txid9925)
Found in liver
(BTO:0000759)
. See:
PubMed
Ovis aries
(NCBI:txid9940)
Found in liver
(BTO:0000759)
. See:
PubMed
Oryctolagus cuniculus
(NCBI:txid9986)
Found in liver
(BTO:0000759)
. See:
PubMed
Roles Classification
Biological Role
(s):
drug metabolite
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
4'-hydroxyfenbendazole
UniProt
4-Hydroxyfenbendazole
ChemIDplus
5-(p-Hydroxyphenyl)thio-2-carbomethoxyaminobenzimidazole
ChemIDplus
Fbz-OH
ChemIDplus
Manual Xref
Database
CPD-20525
MetaCyc
View more database links
Registry Numbers
Types
Sources
72447-64-4
CAS Registry Number
ChemIDplus
8395578
Reaxys Registry Number
Reaxys
Citations
Types
Sources
2382406
PubMed citation
Europe PMC
23959307
PubMed citation
SUBMITTER
2808233
PubMed citation
Europe PMC
3212936
PubMed citation
Europe PMC
3379664
PubMed citation
Europe PMC
3387675
PubMed citation
Europe PMC
3592382
PubMed citation
Europe PMC
3605812
PubMed citation
Europe PMC
8946705
PubMed citation
Europe PMC
Last Modified
08 May 2018