Isobutyric anhydride

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UUID 8ae2371d-a43f-484e-9543-5b4b38ae30ad

Flow Object ID fo-c3bd95c7022c9568

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 97-72-3

EC Numbers 202-603-6

prefLabel

Language	Value	Provenance
`en`	`Isobutyric anhydride`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-methylpropanoic anhydride`
`en`	`2-Methylpropanoic acid anhydride`
`en`	`2-Methylpropanoyl-2-methylpropanoate`
`en`	`2-Methylpropionic acid anhydride`
`en`	`2-Methylpropionic anhydride`
`en`	`Isobutanoic anhydride`
`en`	`Isobutyric acid anhydride`
`en`	`Isobutyryl anhydride`
`en`	`Propanoic acid, 2-methyl-, 1,1′-anhydride`
`en`	`Propanoic acid, 2-methyl-, anhydride`
`en`	`2-methylpropanoic Acid, (2-methyl-1-oxopropyl) Ester`

Definitions

Language	Value	Provenance
`en`	An acyclic carboxylic anhydride of isobutyric acid. Metabolite observed in cancer metabolism.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`LSACYLWPPQLVSM-UHFFFAOYSA-N`
InChI	`InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3`
IUPAC name	`2-methylpropanoic acid (2-methyl-1-oxopropyl) ester, 2-methylpropanoyl 2-methylpropanoate, 2-methylpropionic acid isobutyryl ester`
Molecular formula	`C8H14O3`
Molecular mass	`158.197`
Monoisotopic mass	`158.09429`
SMILES	`CC(C)C(=O)OC(=O)C(C)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`8ae2371d-a43f-484e-9543-5b4b38ae30ad`	2-methylpropanoic acid, (2-methyl-1-oxopropyl) ester

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-methylpropanoic acid, (2-methyl-1-oxopropyl) ester	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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-methylpropanoicacid,(2-methyl-1-oxopropyl)ester\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=97-72-3; added Common Chemistry CAS names as altLabel: 2-Methylpropanoic acid anhydride, 2-Methylpropanoyl-2-methylpropanoate, 2-Methylpropionic acid anhydride, 2-Methylpropionic anhydride, Isobutanoic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Propanoic acid, 2-methyl-, 1,1′-anhydride, Propanoic acid, 2-methyl-, anhydride; object_uuid=fo-c3bd95c7022c9568
`cas_match_labels`	1	`—`	consensus_match	group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'97-72-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3bd95c7022c9568: {'97-72-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '2-methylpropanoic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropanoic anhydride', 'http://purl.obolibrary.org/obo/CHEBI_84261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyric anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyric anhydride', 'http://purl.obolibrary.org/obo/CHEBI_84261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '2-methylpropanoic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropanoic anhydride', 'http://purl.obolibrary.org/obo/CHEBI_84261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyric anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyric anhydride', 'http://purl.obolibrary.org/obo/CHEBI_84261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methylpropanoic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropanoyl-2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropionic acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropionic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutanoic anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyryl anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 1,1′-anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, anhydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-72-3', 'https://commonchemistry.cas.org/detail?cas_rn=97-72-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester\|\|dimension=Environmental > media=Air > indoor=Unknown; cas=97-72-3; added Common Chemistry CAS names as altLabel: 2-Methylpropanoic acid anhydride, 2-Methylpropanoyl-2-methylpropanoate, 2-Methylpropionic acid anhydride, 2-Methylpropionic anhydride, Isobutanoic anhydride, Isobutyric acid anhydride, Isobutyryl anhydride, Propanoic acid, 2-methyl-, 1,1′-anhydride, Propanoic acid, 2-methyl-, anhydride; object_uuid=fo-c3bd95c7022c9568
`cas_match_labels`	`None`	`{'97-72-3': 'exactMatch'}`	group_key=2-methylpropanoicacid,(2-methyl-1-oxopropyl)ester\|\|dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'97-72-3': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c3bd95c7022c9568: {'97-72-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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