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Chemical Entities of Biological Interest Ontology
| Preferred Name | 4-phenylbutyric acid | |
| Synonyms |
omega-Phenylbutanoic acid PBA Benzenebutyric acid gamma-Phenyl-n-butyric acid 4-Phenyl-n-butyric acid omega-phenylbutyric acid gamma-phenylbutyric acid 4-PHENYL-BUTANOIC ACID 4-phenylbutanoic acid |
|
| Definitions |
A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_41500 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:21726539 PMID:20399799 PDBeChem:CLT HMDB:HMDB0000543 MetaCyc:CPD-14367 LINCS:LSM-5751 PMID:19918981 CAS:1821-12-1 PMID:21887297 PMID:22101259 PMID:22359472 Drug_Central:24 PMID:21894430 PMID:21237159 Reaxys:638180
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|
| definition |
A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.
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|
| formula |
C10H12O2
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|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_61115 |
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| has_alternative_id |
CHEBI:64058
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|
| has_exact_synonym |
4-phenylbutanoic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
omega-Phenylbutanoic acid PBA Benzenebutyric acid gamma-Phenyl-n-butyric acid 4-Phenyl-n-butyric acid omega-phenylbutyric acid gamma-phenylbutyric acid 4-PHENYL-BUTANOIC ACID
|
|
| id |
CHEBI:41500
|
|
| in_subset | ||
| inchi |
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
|
|
| inchikey |
OBKXEAXTFZPCHS-UHFFFAOYSA-N
|
|
| is conjugate acid of | ||
| label |
4-phenylbutyric acid
|
|
| mass |
164.20110
|
|
| monoisotopicmass |
164.08373
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|
| notation |
CHEBI:41500
|
|
| prefLabel |
4-phenylbutyric acid
|
|
| smiles |
OC(=O)CCCc1ccccc1
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| treeView | ||
| subClassOf |
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