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3-methylbut-2-enoic Acid

UUID fc6fa9e2-03d5-4805-9995-9ad0dbcb6de1
Flow Object IDfo-7cd82f64a6cd6a30
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 541-47-9
EC Numbers 208-782-7
prefLabel
Language Value Provenance
en 3-methylbut-2-enoic Acid
altLabel ⓘ
Language Value Provenance
en 3,3-Dimethylacrylic acid
en 3-Methyl-2-butenoic acid
en 3-Methylcrotonic acid
en SENECIC ACID
en Senecioic acid
en beta,beta-Dimethacrylic acid
en beta,beta-Dimethylacrylic acid
en beta-Methylcrotonic acid
en 2-Butenoic acid, 3-methyl-
en Crotonic acid, 3-methyl-
en NSC 2549
en NSC 97179
en β,β-Dimethylacrylic acid
en β-Methylcrotonic acid
Definitions
Language Value Provenance
en A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YYPNJNDODFVZLE-UHFFFAOYSA-N
InChI InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
IUPAC name 3-methyl-2-butenoic acid, 3-methylbut-2-enoic acid
Molecular formula C5H8O2
Molecular mass 100.117
Monoisotopic mass 100.05243
SMILES CC(=CC(=O)O)C, CC(C)=CC(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fc6fa9e2-03d5-4805-9995-9ad0dbcb6de1 3-methylbut-2-enoic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-methylbut-2-enoic acid Emissions/Emissions to water/Emissions to fresh water 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=3-methylbut-2-enoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=541-47-9; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 3-methyl-, Crotonic acid, 3-methyl-, NSC 2549, NSC 97179, β,β-Dimethylacrylic acid, β-Methylcrotonic acid; object_uuid=fo-7cd82f64a6cd6a30
cas_match_labels 1 — consensus_match group_key=3-methylbut-2-enoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-47-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7cd82f64a6cd6a30: {'541-47-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '3,3-Dimethylacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-Dimethylacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methyl-2-butenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methyl-2-butenoic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methylcrotonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methylcrotonic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'SENECIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SENECIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Senecioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Senecioic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta,beta-Dimethacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta,beta-Dimethacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta,beta-Dimethylacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta,beta-Dimethylacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylcrotonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylcrotonic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3,3-Dimethylacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-Dimethylacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methyl-2-butenoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methyl-2-butenoic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methylcrotonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methylcrotonic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'SENECIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SENECIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Senecioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Senecioic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta,beta-Dimethacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta,beta-Dimethacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta,beta-Dimethylacrylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta,beta-Dimethylacrylic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylcrotonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylcrotonic acid', 'http://purl.obolibrary.org/obo/CHEBI_37127', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Butenoic acid, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=541-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crotonic acid, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=541-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2549', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:541-47-9', 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'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-methylbut-2-enoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=541-47-9; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 3-methyl-, Crotonic acid, 3-methyl-, NSC 2549, NSC 97179, β,β-Dimethylacrylic acid, β-Methylcrotonic acid; object_uuid=fo-7cd82f64a6cd6a30
cas_match_labels None {'541-47-9': 'exactMatch'} group_key=3-methylbut-2-enoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'541-47-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7cd82f64a6cd6a30: {'541-47-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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