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2-aminopropanoic acid

UUID 01169202-7501-44e6-b5c5-c07774a95dcd
Flow Object IDfo-4d9a8a5ea8073e4f
Source EF 3.1
Context Environmental → Air → Ground level → Rural (<1000 people/square mile)
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 01169202-7501-44e6-b5c5-c07774a95dcd sodium dibenzyldithiocarbamate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium dibenzyldithiocarbamate Emissions/Emissions to air/Emissions to air, unspecified (long-term) 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

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityRural (<1000 people/square mile)

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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  "unit": "kg",
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