3,3-dimethylglutaric Acid

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UUID 5cfb9684-eecf-4f03-a529-47ecfaa27fa9

Flow Object ID fo-6a218a87343bea0c

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 4839-46-7

EC Numbers 225-425-0

prefLabel

Language	Value	Provenance
`en`	`3,3-dimethylglutaric Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`3,3-dimethylpentanedioic acid`
`en`	`Glutaric acid, 3,3-dimethyl-`
`en`	`Glutaric acid, β,β-dimethyl-`
`en`	`NSC 14987`
`en`	`NSC 49114`
`en`	`Pentanedioic acid, 3,3-dimethyl-`
`en`	`β,β-Dimethylglutaric acid`

Definitions

Language	Value	Provenance
`en`	An α,ω-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`DUHQIGLHYXLKAE-UHFFFAOYSA-N`
InChI	`InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)`
IUPAC name	`3,3-dimethylglutaric acid, 3,3-dimethylpentanedioic acid`
Molecular formula	`C7H12O4`
Molecular mass	`160.169`
Monoisotopic mass	`160.07356`
SMILES	`CC(C)(CC(=O)O)CC(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`5cfb9684-eecf-4f03-a529-47ecfaa27fa9`	3,3-dimethylglutaric acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,3-dimethylglutaric acid	Emissions/Emissions to water/Emissions to sea 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=3,3-dimethylglutaricacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=4839-46-7; added Common Chemistry CAS names as altLabel: Glutaric acid, 3,3-dimethyl-, Glutaric acid, β,β-dimethyl-, NSC 14987, NSC 49114, Pentanedioic acid, 3,3-dimethyl-, β,β-Dimethylglutaric acid; object_uuid=fo-6a218a87343bea0c
`cas_match_labels`	1	`—`	consensus_match	group_key=3,3-dimethylglutaricacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4839-46-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a218a87343bea0c: {'4839-46-7': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`[{'@value': '3,3-dimethylpentanedioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethylpentanedioic acid', 'http://purl.obolibrary.org/obo/CHEBI_68502', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]`	[{'@value': '3,3-dimethylpentanedioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethylpentanedioic acid', 'http://purl.obolibrary.org/obo/CHEBI_68502', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Glutaric acid, 3,3-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glutaric acid, β,β-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 14987', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 49114', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentanedioic acid, 3,3-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β,β-Dimethylglutaric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4839-46-7', 'https://commonchemistry.cas.org/detail?cas_rn=4839-46-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=3,3-dimethylglutaricacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=4839-46-7; added Common Chemistry CAS names as altLabel: Glutaric acid, 3,3-dimethyl-, Glutaric acid, β,β-dimethyl-, NSC 14987, NSC 49114, Pentanedioic acid, 3,3-dimethyl-, β,β-Dimethylglutaric acid; object_uuid=fo-6a218a87343bea0c
`cas_match_labels`	`None`	`{'4839-46-7': 'exactMatch'}`	group_key=3,3-dimethylglutaricacid\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4839-46-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a218a87343bea0c: {'4839-46-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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