2-aminopropanoic acid

← Back to consensus flows

UUID 364fa4ad-03e2-44a1-9347-b184f3604e33

Flow Object ID fo-4d9a8a5ea8073e4f

Source EF 3.1

Context Environmental → Ground → Unknown

CAS Numbers 55310-46-8

EC Numbers 259-587-9

prefLabel ⓘ

Language	Value	Provenance
`en`	`2-aminopropanoic acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`Carbamodithioic acid, <em>N</em>,<em>N</em>-bis(phenylmethyl)-, sodium salt (1:1)`
`en`	`Carbamodithioic acid, bis(phenylmethyl)-, sodium salt`
`en`	`Sodium <em>N</em>,<em>N</em>-dibenzyldithiocarbamate`
`en`	`Sodium dibenzyldithiocarbamate`

References

Shared Properties

Predicate	Value
InChIKey	`HYDUCTKILHGLPO-UHFFFAOYSA-M, MYCPTMLDBVIIES-UHFFFAOYSA-M, QNAYBMKLOCPYGJ-UHFFFAOYSA-N, YKVABMCSVUSETE-UHFFFAOYSA-N`
InChI	`InChI=1S/C15H15NS2.Na.H2O/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12H2,(H,17,18);;1H2/q;+1;/p-1, InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);, InChI=1S/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1, InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)`
IUPAC name	`2-aminopropanoic acid, 2-aminopropionic acid, 2-azanylpropanoic acid, sodium N,N-bis(phenylmethyl)carbamodithioate, sodium N,N-dibenzylcarbamodithioate, sodium;N,N-bis(phenylmethyl)carbamodithioate;hydrate, sodium;N,N-dibenzylcarbamodithioate;hydrate`
Molecular formula	`C15H14NNaS2, C15H15NNaS2, C15H16NNaOS2, C3H7NO2`
SMILES	`C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)S.[Na], C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].O.[Na+], C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Na+], CC(C(=O)O)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`364fa4ad-03e2-44a1-9347-b184f3604e33`	sodium dibenzyldithiocarbamate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	sodium dibenzyldithiocarbamate	Emissions/Emissions to soil/Emissions to soil, unspecified	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	2	`—`	consensus_match	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55310-46-8; added Common Chemistry CAS names as altLabel: Carbamodithioic acid, <em>N</em>,<em>N</em>-bis(phenylmethyl)-, sodium salt (1:1), Carbamodithioic acid, bis(phenylmethyl)-, sodium salt, Sodium <em>N</em>,<em>N</em>-dibenzyldithiocarbamate, Sodium dibenzyldithiocarbamate; object_uuid=fo-4d9a8a5ea8073e4f
`cas_match_labels`	1	`—`	consensus_match	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'55310-46-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d9a8a5ea8073e4f: {'55310-46-8': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55310-46-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9094; pubchem_entropy=3.1814; current_score=4.1994; pubchem_score=3.3714; score_improvement=0.8280; threshold=0.400; min_margin=0.400; object_uuid=fo-4d9a8a5ea8073e4f

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': 'Sodium Dibenzyldithiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '2-aminopropanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55310-46-8', 'name:2-aminopropanoic acid', 'https://pubchem.ncbi.nlm.nih.gov/compound/602'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55310-46-8; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9094; pubchem_entropy=3.1814; current_score=4.1994; pubchem_score=3.3714; score_improvement=0.8280; threshold=0.400; min_margin=0.400; object_uuid=fo-4d9a8a5ea8073e4f
`altLabel`	`None`	`[{'@value': 'Sodium Dibenzyldithiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55310-46-8; added current EF name as altLabel when prefLabel differs; object_uuid=fo-4d9a8a5ea8073e4f
`altLabel`	`[{'@value': 'Sodium Dibenzyldithiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	[{'@value': 'Carbamodithioic acid, <em>N</em>,<em>N</em>-bis(phenylmethyl)-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55310-46-8', 'https://commonchemistry.cas.org/detail?cas_rn=55310-46-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carbamodithioic acid, bis(phenylmethyl)-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55310-46-8', 'https://commonchemistry.cas.org/detail?cas_rn=55310-46-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>N</em>,<em>N</em>-dibenzyldithiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55310-46-8', 'https://commonchemistry.cas.org/detail?cas_rn=55310-46-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium dibenzyldithiocarbamate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:55310-46-8', 'https://commonchemistry.cas.org/detail?cas_rn=55310-46-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=55310-46-8; added Common Chemistry CAS names as altLabel: Carbamodithioic acid, <em>N</em>,<em>N</em>-bis(phenylmethyl)-, sodium salt (1:1), Carbamodithioic acid, bis(phenylmethyl)-, sodium salt, Sodium <em>N</em>,<em>N</em>-dibenzyldithiocarbamate, Sodium dibenzyldithiocarbamate; object_uuid=fo-4d9a8a5ea8073e4f
`cas_match_labels`	`None`	`{'55310-46-8': 'exactMatch'}`	group_key=sodiumdibenzyldithiocarbamate\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'55310-46-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4d9a8a5ea8073e4f: {'55310-46-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "ec_numbers": [
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  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 6886.6
    },
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 6886.6
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  "source": "EF 3.1",
  "identifier": "364fa4ad-03e2-44a1-9347-b184f3604e33",
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