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2,2-dimethylbutyric Acid

UUID 15236747-4074-43f9-a266-103195bb8bbd
Flow Object IDfo-3253c0ea2d0c6cc5
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 595-37-9
EC Numbers 209-865-0
prefLabel
Language Value Provenance
en 2,2-dimethylbutyric Acid
altLabel ⓘ
Language Value Provenance
en 2,2-dimethylbutanoic acid
en DMB
en alpha,alpha-dimethylbutanoic acid
en alpha,alpha-dimethylbutyric acid
en <em>tert</em>-Amylcarboxylic acid
en Butanoic acid, 2,2-dimethyl-
en Butyric acid, 2,2-dimethyl-
en Butyric acid, α,α-dimethyl-
en Dimebutic acid
en NSC 16045
en NSC 741804
en Neohexanoic acid
en α,α-Dimethylbutanoic acid
en α,α-Dimethylbutyric acid
Definitions
Language Value Provenance
en A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VUAXHMVRKOTJKP-UHFFFAOYSA-N
InChI InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
IUPAC name 2,2-dimethylbutanoic acid, 2,2-dimethylbutyric acid
Molecular formula C6H12O2
Molecular mass 116.16
Monoisotopic mass 116.08373
SMILES CCC(C)(C)C(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 15236747-4074-43f9-a266-103195bb8bbd 2,2-dimethylbutyric acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-dimethylbutyric acid Emissions/Emissions to air/Emissions to air, indoor kg exactMatch —

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=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; cas=595-37-9; added Common Chemistry CAS names as altLabel: <em>tert</em>-Amylcarboxylic acid, Butanoic acid, 2,2-dimethyl-, Butyric acid, 2,2-dimethyl-, Butyric acid, α,α-dimethyl-, Dimebutic acid, NSC 16045, NSC 741804, Neohexanoic acid, α,α-Dimethylbutanoic acid, α,α-Dimethylbutyric acid; object_uuid=fo-3253c0ea2d0c6cc5
cas_match_labels 1 — consensus_match group_key=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'595-37-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3253c0ea2d0c6cc5: {'595-37-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2,2-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2-dimethylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DMB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DMB', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha-dimethylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha-dimethylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha-dimethylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,2-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2-dimethylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DMB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DMB', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha-dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha-dimethylbutanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha-dimethylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha-dimethylbutyric acid', 'http://purl.obolibrary.org/obo/CHEBI_38649', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>tert</em>-Amylcarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanoic acid, 2,2-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric acid, 2,2-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyric acid, α,α-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimebutic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 16045', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 741804', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neohexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α-Dimethylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α-Dimethylbutyric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:595-37-9', 'https://commonchemistry.cas.org/detail?cas_rn=595-37-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; cas=595-37-9; added Common Chemistry CAS names as altLabel: <em>tert</em>-Amylcarboxylic acid, Butanoic acid, 2,2-dimethyl-, Butyric acid, 2,2-dimethyl-, Butyric acid, α,α-dimethyl-, Dimebutic acid, NSC 16045, NSC 741804, Neohexanoic acid, α,α-Dimethylbutanoic acid, α,α-Dimethylbutyric acid; object_uuid=fo-3253c0ea2d0c6cc5
cas_match_labels None {'595-37-9': 'exactMatch'} group_key=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'595-37-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3253c0ea2d0c6cc5: {'595-37-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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