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Gabapentin

UUID dc350bde-16b0-4dc8-9a46-97f761529dcc
Flow Object IDfo-94ef89732dd35452
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 60142-96-3
EC Numbers 262-076-3
prefLabel
Language Value Provenance
en Gabapentin
altLabel ⓘ
Language Value Provenance
en 1-(Aminomethyl)cyclohexaneacetic acid
en Neurontin
en [1-(aminomethyl)cyclohexyl]acetic acid
en gabapentina
en gabapentine
en gabapentinum
en (1-Aminomethyl-cyclohexyl)-acetic acid
en 2-[1-(Aminomethyl)cyclohexyl]acetic acid
en Bexal
en CI 945
en Convalis
en Conventin
en Cyclohexaneacetic acid, 1-(aminomethyl)-
en Fanatrex
en GOE 2450
en GOE 3450
en Gabamox
en Gabapen
en Gabarone
en Generis
en Go 3450
en Gralise
en Neuril
en Neuronyin
en Nupentin
en Sigma G 154
Definitions
Language Value Provenance
en A γ-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UGJMXCAKCUNAIE-UHFFFAOYSA-N
InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
IUPAC name 2-[1-(aminomethyl)cyclohexyl]acetic acid, 2-[1-(aminomethyl)cyclohexyl]ethanoic acid
Molecular formula C9H17NO2
Molecular mass 171.24
Monoisotopic mass 171.12593
SMILES C1CCC(CC1)(CC(=O)O)CN, NCC1(CC(=O)O)CCCCC1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 dc350bde-16b0-4dc8-9a46-97f761529dcc gabapentin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 gabapentin 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=gabapentin||dimension=Environmental > media=Ground > geography=Unknown; cas=60142-96-3; added Common Chemistry CAS names as altLabel: (1-Aminomethyl-cyclohexyl)-acetic acid, 2-[1-(Aminomethyl)cyclohexyl]acetic acid, Bexal, CI 945, Convalis, Conventin, Cyclohexaneacetic acid, 1-(aminomethyl)-, Fanatrex, GOE 2450, GOE 3450, Gabamox, Gabapen, Gabarone, Generis, Go 3450, Gralise, Neuril, Neuronyin, Nupentin, Sigma G 154; object_uuid=fo-94ef89732dd35452
cas_match_labels 1 — consensus_match group_key=gabapentin||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60142-96-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94ef89732dd35452: {'60142-96-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1-(Aminomethyl)cyclohexaneacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(Aminomethyl)cyclohexaneacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Neurontin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Neurontin', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '[1-(aminomethyl)cyclohexyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:[1-(aminomethyl)cyclohexyl]acetic acid', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym 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'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gabapentina', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gabapentine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gabapentine', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gabapentinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gabapentinum', 'http://purl.obolibrary.org/obo/CHEBI_42797', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1-Aminomethyl-cyclohexyl)-acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-[1-(Aminomethyl)cyclohexyl]acetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bexal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CI 945', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Convalis', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Conventin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexaneacetic acid, 1-(aminomethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fanatrex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'GOE 2450', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'GOE 3450', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gabamox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gabapen', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gabarone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Generis', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Go 3450', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Gralise', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neuril', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neuronyin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nupentin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 'https://commonchemistry.cas.org/detail?cas_rn=60142-96-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sigma G 154', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:60142-96-3', 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cas_match_labels None {'60142-96-3': 'exactMatch'} group_key=gabapentin||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'60142-96-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94ef89732dd35452: {'60142-96-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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