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pentapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate

UUID a9737bd4-fdc1-41da-a80c-0a5b8dfbd6dd
Flow Object IDfo-feed501c8eb5c8cf
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 7216-95-7
EC Numbers 404-290-3
prefLabel
Language Value Provenance
en pentapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
altLabel
Language Value Provenance
en Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt
en Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5)
en K<sub>5</sub>DTPA
en Pentapotassium diethylenetriaminepentaacetate
References
Shared Properties
Predicate Value
InChIKey ALAWNHZZNUDBAO-UHFFFAOYSA-I, AVTREVLJQWPYFS-UHFFFAOYSA-N, LRNLJCBZAUJMIS-UHFFFAOYSA-I, MVQWXPPVCDOHQI-UHFFFAOYSA-N
InChI InChI=1S/C14H23N3O10.25K/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;;;;;;;;;;;;;;;;;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;;;;;;;;;;;;;;;;;;;;;/q;25*+1/p-5, InChI=1S/C14H23N3O10.5K/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;, InChI=1S/C14H23N3O10.5K/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5, InChI=1S/C14H23N3O10.K/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);
IUPAC name pentacosapotassium;2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate, pentacosapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate, pentapotassium;2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate, pentapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Molecular formula C14H18K25N3O10+20, C14H18K5N3O10, C14H23K5N3O10, C14H23KN3O10
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K], C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[K].[K].[K].[K].[K], C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+], C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a9737bd4-fdc1-41da-a80c-0a5b8dfbd6dd pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate Emissions/Emissions to air/Emissions to urban air close to ground 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=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=7216-95-7; added Common Chemistry CAS names as altLabel: Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt, Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5), K<sub>5</sub>DTPA, Pentapotassium diethylenetriaminepentaacetate; object_uuid=fo-feed501c8eb5c8cf
cas_match_labels 1 consensus_match group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'7216-95-7': []}; assigned CAS labels from group consensus; object_uuid=fo-feed501c8eb5c8cf: {'7216-95-7': 'exactMatch'}
prefLabel 1 consensus_match group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=7216-95-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9269; pubchem_entropy=3.9389; current_score=4.9569; pubchem_score=4.5489; score_improvement=0.4080; threshold=0.400; min_margin=0.400; object_uuid=fo-feed501c8eb5c8cf

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'pentapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7216-95-7', 'name:pentapotassium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate', 'https://pubchem.ncbi.nlm.nih.gov/compound/10167209'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=7216-95-7; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.9269; pubchem_entropy=3.9389; current_score=4.9569; pubchem_score=4.5489; score_improvement=0.4080; threshold=0.400; min_margin=0.400; object_uuid=fo-feed501c8eb5c8cf
altLabel None [{'@value': 'Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate', '@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=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=7216-95-7; added current EF name as altLabel when prefLabel differs; object_uuid=fo-feed501c8eb5c8cf
altLabel [{'@value': 'Pentapotassium 2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate', '@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': 'Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7216-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=7216-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7216-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=7216-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'K<sub>5</sub>DTPA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7216-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=7216-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pentapotassium diethylenetriaminepentaacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7216-95-7', 'https://commonchemistry.cas.org/detail?cas_rn=7216-95-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=7216-95-7; added Common Chemistry CAS names as altLabel: Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentapotassium salt, Glycine, <em>N</em>,<em>N</em>-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5), K<sub>5</sub>DTPA, Pentapotassium diethylenetriaminepentaacetate; object_uuid=fo-feed501c8eb5c8cf
cas_match_labels None {'7216-95-7': 'exactMatch'} group_key=pentapotassium2-[2-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'7216-95-7': []}; assigned CAS labels from group consensus; object_uuid=fo-feed501c8eb5c8cf: {'7216-95-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "general_comment": null,
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  "unit": "kg",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.392e-6
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      "source_metadata": {
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