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Trisodium 2-[bis(carboxylatomethyl)amino]propanoate

UUID eba95ea9-3c33-4e81-968e-030422dce7c2
Deprecated yes
Replaced By 612bd640-529b-4fd6-ba1a-3402bd31659e
Flow Object IDfo-328928979ac7d7c6
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 164462-16-2
EC Numbers 423-270-5
prefLabel
Language Value Provenance
en Trisodium 2-[bis(carboxylatomethyl)amino]propanoate
altLabel
Language Value Provenance
en <span class="text-smallcaps">DL</span>-Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt
en <span class="text-smallcaps">DL</span>-Alanine-<em>N</em>,<em>N</em>-diacetic acid trisodium salt
en Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, sodium salt (1:3)
en Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt
en Dissolvine M 40
en Trisodium Dicarboxymethyl Alaninate
References
Shared Properties
Predicate Value
InChIKey CIEZZGWIJBXOTE-UHFFFAOYSA-N, JUWMOOKPNWGETN-UHFFFAOYSA-K, OHOTVSOGTVKXEL-UHFFFAOYSA-K, OHOTVSOGTVKXEL-WJXVXWFNSA-K, OHOTVSOGTVKXEL-WJXVXWFNSA-L, OHOTVSOGTVKXEL-WJXVXWFNSA-M, OHOTVSOGTVKXEL-WJXVXWFNSA-N, SQKOOOSPGWXVRN-UHFFFAOYSA-N, SZYIQIXMAMBADP-UHFFFAOYSA-N
InChI InChI=1S/C7H11NO6.3Na.H2O/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;;1H2/q;3*+1;/p-3, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-1/t4-;;;/m0.../s1, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-2/t4-;;;/m0.../s1, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3/t4-;;;/m0.../s1, InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/t4-;;;/m0.../s1, InChI=1S/C7H11NO6.Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);, InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
IUPAC name 2-[bis(2-hydroxy-2-oxoethyl)amino]propanoic acid, 2-[bis(carboxymethyl)amino]propanoic acid, 2-[bis(carboxymethyl)amino]propionic acid, trisodium;(2S)-2-[bis(2-hydroxy-2-oxoethyl)amino]propanoate, trisodium;(2S)-2-[bis(2-hydroxy-2-oxoethyl)amino]propanoic acid, trisodium;(2S)-2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propanoate, trisodium;(2S)-2-[bis(carboxylatomethyl)amino]propanoate, trisodium;(2S)-2-[bis(carboxylatomethyl)amino]propionate, trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoate, trisodium;(2S)-2-[bis(carboxymethyl)amino]propanoic acid, trisodium;(2S)-2-[bis(carboxymethyl)amino]propionate, trisodium;(2S)-2-[bis(carboxymethyl)amino]propionic acid, trisodium;2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]ethanoate, trisodium;2-[[(1S)-1-carboxyethyl]-(carboxylatomethyl)amino]acetate, trisodium;2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propanoate, trisodium;2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propanoate;hydrate, trisodium;2-[bis(carboxylatomethyl)amino]propanoate, trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate, trisodium;2-[bis(carboxylatomethyl)amino]propionate, trisodium;2-[bis(carboxylatomethyl)amino]propionate;hydrate
Molecular formula C7H10NNa3O6+2, C7H10NNa3O7, C7H11NNa3O6, C7H11NNa3O6+3, C7H11NNaO6, C7H11NO6, C7H8NNa3O6, C7H9NNa3O6+
SMILES CC(C(=O)O)N(CC(=O)O)CC(=O)O, CC(C(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+], CC(C(=O)O)N(CC(=O)O)CC(=O)O.[Na], CC(C(=O)O)N(CC(=O)O)CC(=O)O.[Na].[Na].[Na], CC(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+], CC(C(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+], CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Na+], CC(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+], C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+], C[C@@H](C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+], C[C@@H](C(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+], C[C@@H](C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 eba95ea9-3c33-4e81-968e-030422dce7c2 trisodium 2-[bis(carboxylatomethyl)amino]propanoate

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=trisodium2-[bis(carboxylatomethyl)amino]propanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=164462-16-2; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">DL</span>-Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt, <span class="text-smallcaps">DL</span>-Alanine-<em>N</em>,<em>N</em>-diacetic acid trisodium salt, Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, sodium salt (1:3), Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt, Dissolvine M 40, Trisodium Dicarboxymethyl Alaninate; object_uuid=fo-328928979ac7d7c6
cas_match_labels 1 consensus_match group_key=trisodium2-[bis(carboxylatomethyl)amino]propanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'164462-16-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-328928979ac7d7c6: {'164462-16-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '<span class="text-smallcaps">DL</span>-Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">DL</span>-Alanine-<em>N</em>,<em>N</em>-diacetic acid trisodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, sodium salt (1:3)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dissolvine M 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trisodium Dicarboxymethyl Alaninate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:164462-16-2', 'https://commonchemistry.cas.org/detail?cas_rn=164462-16-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=trisodium2-[bis(carboxylatomethyl)amino]propanoate||dimension=Environmental > media=Water > water_body=Ocean; cas=164462-16-2; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">DL</span>-Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt, <span class="text-smallcaps">DL</span>-Alanine-<em>N</em>,<em>N</em>-diacetic acid trisodium salt, Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, sodium salt (1:3), Alanine, <em>N</em>,<em>N</em>-bis(carboxymethyl)-, trisodium salt, Dissolvine M 40, Trisodium Dicarboxymethyl Alaninate; object_uuid=fo-328928979ac7d7c6
cas_match_labels None {'164462-16-2': 'exactMatch'} group_key=trisodium2-[bis(carboxylatomethyl)amino]propanoate||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'164462-16-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-328928979ac7d7c6: {'164462-16-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.7073e-9
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  "identifier": "eba95ea9-3c33-4e81-968e-030422dce7c2",
  "input_datasets": [
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  "source_refs": [
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        "C[C@@H](C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]",
        "C[C@@H](C(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+]",
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        "InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-2/t4-;;;/m0.../s1",
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        "InChI=1S/C7H11NO6.3Na/c1-4(7(13)14)8(2-5(9)10)3-6(11)12;;;/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3/t4-;;;/m0.../s1",
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