2-methylglutaric Acid

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UUID c87f0603-4d76-4096-826e-e003e6c4ebf4

Flow Object ID fo-1666c44e118c658e

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 617-62-9

EC Numbers 210-521-7

prefLabel

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

altLabel ⓘ

Language	Value	Provenance
`en`	`(±)-2-Methylglutaric acid`
`en`	`2-Methylpentanedioic acid`
`en`	`Glutaric acid, 2-methyl-`
`en`	`NSC 408456`
`en`	`NSC 5941`
`en`	`Pentanedioic acid 2-methyl ester`
`en`	`Pentanedioic acid, 2-methyl-`
`en`	`α-Methylglutaric acid`

References

Shared Properties

Predicate	Value
InChIKey	`AQYCMVICBNBXNA-BYPYZUCNSA-N, AQYCMVICBNBXNA-UHFFFAOYSA-N, XJMMNTGIMDZPMU-UHFFFAOYSA-N`
InChI	`InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10), InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10), InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1`
IUPAC name	`(2S)-2-methylglutaric acid, (2S)-2-methylpentanedioic acid, 2-methylglutaric acid, 2-methylpentanedioic acid, 3-methylglutaric acid, 3-methylpentanedioic acid`
Molecular formula	`C6H10O4`
SMILES	`CC(CC(=O)O)CC(=O)O, CC(CCC(=O)O)C(=O)O, C[C@@H](CCC(=O)O)C(=O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`c87f0603-4d76-4096-826e-e003e6c4ebf4`	2-methylglutaric acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	2-methylglutaric 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=2-methylglutaricacid\|\|dimension=Environmental > media=Air > strata=Unknown; cas=617-62-9; added Common Chemistry CAS names as altLabel: (±)-2-Methylglutaric acid, 2-Methylpentanedioic acid, Glutaric acid, 2-methyl-, NSC 408456, NSC 5941, Pentanedioic acid 2-methyl ester, Pentanedioic acid, 2-methyl-, α-Methylglutaric acid; object_uuid=fo-1666c44e118c658e
`cas_match_labels`	1	`—`	consensus_match	group_key=2-methylglutaricacid\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'617-62-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1666c44e118c658e: {'617-62-9': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '(±)-2-Methylglutaric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpentanedioic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glutaric acid, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 408456', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5941', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentanedioic acid 2-methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentanedioic acid, 2-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Methylglutaric acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:617-62-9', 'https://commonchemistry.cas.org/detail?cas_rn=617-62-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=2-methylglutaricacid\|\|dimension=Environmental > media=Air > strata=Unknown; cas=617-62-9; added Common Chemistry CAS names as altLabel: (±)-2-Methylglutaric acid, 2-Methylpentanedioic acid, Glutaric acid, 2-methyl-, NSC 408456, NSC 5941, Pentanedioic acid 2-methyl ester, Pentanedioic acid, 2-methyl-, α-Methylglutaric acid; object_uuid=fo-1666c44e118c658e
`cas_match_labels`	`None`	`{'617-62-9': 'exactMatch'}`	group_key=2-methylglutaricacid\|\|dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'617-62-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1666c44e118c658e: {'617-62-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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