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4-phenylbutyric Acid

UUID c094f81d-a0b6-443b-86fa-1e9d47bbf01f
Deprecated yes
Replaced By 1f29974c-283a-4e87-ab6b-5709fc208364
Flow Object IDfo-8be7719d817ef761
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1821-12-1
EC Numbers 217-341-8
prefLabel
Language Value Provenance
en 4-phenylbutyric Acid
altLabel ⓘ
Language Value Provenance
en 4-PHENYL-BUTANOIC ACID
en 4-Phenyl-n-butyric acid
en 4-phenylbutanoic acid
en Benzenebutyric acid
en PBA
en gamma-Phenyl-n-butyric acid
en gamma-phenylbutyric acid
en omega-Phenylbutanoic acid
en omega-phenylbutyric acid
en 4-Phenyl-<em>n</em>-butyric acid
en Benzenebutanoic acid
en Butyric acid, 4-phenyl-
en Butyric acid, γ-phenyl-
en NSC 295
en γ-Phenylbutanoic acid
en γ-Phenylbutyric acid
en ω-Phenylbutanoic acid
Definitions
Language Value Provenance
en 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 γ-globin gene and affects hPPARγ activation.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-N
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)
IUPAC name 4-phenylbutanoic acid, 4-phenylbutyric acid
Molecular formula C10H12O2
Molecular mass 164.204
Monoisotopic mass 164.08373
SMILES C1=CC=C(C=C1)CCCC(=O)O, O=C(O)CCCc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c094f81d-a0b6-443b-86fa-1e9d47bbf01f 4-phenylbutyric acid

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1821-12-1; added Common Chemistry CAS names as altLabel: 4-Phenyl-<em>n</em>-butyric acid, Benzenebutanoic acid, Butyric acid, 4-phenyl-, Butyric acid, γ-phenyl-, NSC 295, γ-Phenylbutanoic acid, γ-Phenylbutyric acid, ω-Phenylbutanoic acid; object_uuid=fo-8be7719d817ef761
cas_match_labels 1 — consensus_match group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1821-12-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8be7719d817ef761: {'1821-12-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '4-PHENYL-BUTANOIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-PHENYL-BUTANOIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Phenyl-n-butyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Phenyl-n-butyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-phenylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzenebutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzenebutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PBA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PBA', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-Phenyl-n-butyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-Phenyl-n-butyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-phenylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-phenylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'omega-Phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:omega-Phenylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'omega-phenylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:omega-phenylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-PHENYL-BUTANOIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-PHENYL-BUTANOIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Phenyl-n-butyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Phenyl-n-butyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-phenylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzenebutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzenebutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PBA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PBA', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-Phenyl-n-butyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-Phenyl-n-butyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-phenylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-phenylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'omega-Phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:omega-Phenylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'omega-phenylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:omega-phenylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_41500', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Phenyl-<em>n</em>-butyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenebutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric acid, 4-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric acid, γ-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 295', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'γ-Phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'γ-Phenylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω-Phenylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1821-12-1', 'https://commonchemistry.cas.org/detail?cas_rn=1821-12-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; cas=1821-12-1; added Common Chemistry CAS names as altLabel: 4-Phenyl-<em>n</em>-butyric acid, Benzenebutanoic acid, Butyric acid, 4-phenyl-, Butyric acid, γ-phenyl-, NSC 295, γ-Phenylbutanoic acid, γ-Phenylbutyric acid, ω-Phenylbutanoic acid; object_uuid=fo-8be7719d817ef761
cas_match_labels None {'1821-12-1': 'exactMatch'} group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1821-12-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8be7719d817ef761: {'1821-12-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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