2-methylvaleric Acid

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UUID fdfd32ae-7b23-411b-a388-b0650502473e

Flow Object ID fo-490fc0d66e36fcc6

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 97-61-0

EC Numbers 202-594-9

prefLabel

Language	Value	Provenance
`en`	`2-methylvaleric Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-methyl-n-valeric acid`
`en`	`2-methylpentanoic acid`
`en`	`2-pentanecarboxylic acid`
`en`	`FEMA 2754`
`en`	`alpha-methylvaleric acid`
`en`	`methylpropylacetic acid`
`en`	`(±)-2-Methylpentanoic acid`
`en`	`2-Methyl-<em>n</em>-valeric acid`
`en`	`<span class="text-smallcaps">DL</span>-2-Methylpentanoic acid`
`en`	`NSC 8406`
`en`	`Pentanoic acid, 2-methyl-`
`en`	`Valeric acid, 2-methyl-`
`en`	`Valeric acid, α-methyl-`
`en`	`α-Methylvaleric acid`

Definitions

Language	Value	Provenance
`en`	A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`OVBFMEVBMNZIBR-UHFFFAOYSA-N`
InChI	`InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)`
IUPAC name	`2-methylpentanoic acid, 2-methylvaleric acid`
Molecular formula	`C6H12O2`
Molecular mass	`116.16`
Monoisotopic mass	`116.08373`
SMILES	`CCCC(C)C(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`fdfd32ae-7b23-411b-a388-b0650502473e`	2-methylvaleric acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-methylvaleric acid	Emissions/Emissions to water/Emissions to water, unspecified	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-methylvalericacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=97-61-0; added Common Chemistry CAS names as altLabel: (±)-2-Methylpentanoic acid, 2-Methyl-<em>n</em>-valeric acid, <span class="text-smallcaps">DL</span>-2-Methylpentanoic acid, NSC 8406, Pentanoic acid, 2-methyl-, Valeric acid, 2-methyl-, Valeric acid, α-methyl-, α-Methylvaleric acid; object_uuid=fo-490fc0d66e36fcc6
`cas_match_labels`	1	`—`	consensus_match	group_key=2-methylvalericacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-61-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-490fc0d66e36fcc6: {'97-61-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '2-methyl-n-valeric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-n-valeric acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpentanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpentanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-pentanecarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-pentanecarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2754', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2754', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-methylvaleric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-methylvaleric acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methylpropylacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methylpropylacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '2-methyl-n-valeric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-n-valeric acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpentanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpentanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-pentanecarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-pentanecarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2754', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2754', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-methylvaleric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-methylvaleric acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methylpropylacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methylpropylacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_167644', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-2-Methylpentanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methyl-<em>n</em>-valeric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">DL</span>-2-Methylpentanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8406', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentanoic acid, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Valeric acid, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Valeric acid, α-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Methylvaleric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-61-0', 'https://commonchemistry.cas.org/detail?cas_rn=97-61-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-methylvalericacid\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=97-61-0; added Common Chemistry CAS names as altLabel: (±)-2-Methylpentanoic acid, 2-Methyl-<em>n</em>-valeric acid, <span class="text-smallcaps">DL</span>-2-Methylpentanoic acid, NSC 8406, Pentanoic acid, 2-methyl-, Valeric acid, 2-methyl-, Valeric acid, α-methyl-, α-Methylvaleric acid; object_uuid=fo-490fc0d66e36fcc6
`cas_match_labels`	`None`	`{'97-61-0': 'exactMatch'}`	group_key=2-methylvalericacid\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-61-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-490fc0d66e36fcc6: {'97-61-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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