Consensus flow list

Identity

Type
ChemicalSalt
CAS
18662-53-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trsodium Nitrilotriacetate Monohydrate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FPSRYCUQVVPXGK-UHFFFAOYSA-N, HERBOKBJKVUALN-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3
IUPAC name chemrof:IUPAC_name Acetic acid, nitrilotri-, trisodium salt, monohydrate
Molecular formula chemrof:molecular_formula C6H11NNa3O7, C6H8NNa3O7
SMILES string chemrof:smiles_string O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=18662-53-8 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131850239 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
2dcf667e-55ff-41b3-87bb-4ce59d262c41 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dc6e1cb9-1bfa-41c8-bafd-a5bfdeaf80ed Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a1894056-cef3-48bb-aa9c-a9cd0333bc94 Environmental → Air → Indoor EF 3.1 kg 2
791d9dfc-094e-4f33-8d9d-30592c307de0 Environmental → Air → Long-term EF 3.1 kg 0
3cffcb02-87cb-4054-b302-128ef6bd422b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3d3d74b5-59e0-473b-bb84-59bdb59a8165 Environmental → Air → Unknown EF 3.1 kg 2
b23a4191-e5fc-4bdd-912f-2b9369352b0a Environmental → Ground → Agricultural EF 3.1 kg 2
eab92e0c-d694-43d1-b163-6a90d09630fc Environmental → Ground → Non-agricultural EF 3.1 kg 2
5a635f81-aa28-4f40-a13a-868b2d1fded0 Environmental → Ground → Unknown EF 3.1 kg 2
00d8bdb0-3a65-4e77-aee3-452b68d80d9c Environmental → Water → Long-term EF 3.1 kg 0
62956a0d-c237-421e-a24d-ab88f08af6cd Environmental → Water → Ocean EF 3.1 kg 2
063ec01d-89c9-40f1-95c5-f6e55b42df86 Environmental → Water → Surface water EF 3.1 kg 2
69615809-f2b6-4466-a4d9-d2d8432035e5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-77cc78d2e60c0684",
  "prefLabel": [
    {
      "@value": "Trsodium Nitrilotriacetate Monohydrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Acetic acid, nitrilotri-, trisodium salt, monohydrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18662-53-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycine, N,N-bis(carboxymethyl)-, sodium salt, hydrate (1:3:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "CAS:18662-53-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycine, N,N-bis(carboxymethyl)-, trisodium salt, monohydrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:18662-53-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrilotriacetic acid trisodium salt monohydrate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium nitrilotriacetate monohydrate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H11NNa3O7",
        "C6H8NNa3O7"
      ],
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        ],
        "C6H8NNa3O7": [
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        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]"
          ]
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "FPSRYCUQVVPXGK-UHFFFAOYSA-N",
        "HERBOKBJKVUALN-UHFFFAOYSA-K"
      ],
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      "rdfs:label": "InChIKey",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
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          "prov:hadPrimarySource": [
            "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "Acetic acid, nitrilotri-, trisodium salt, monohydrate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "O.O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C6H9NO6.3Na.H2O/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;;1H2/q;3*+1;/p-3": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
          "Acetic acid, nitrilotri-, trisodium salt, monohydrate"
        ]
      },
      "attested_by": {
        "Acetic acid, nitrilotri-, trisodium salt, monohydrate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[18662-53-8]"
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  ],
  "created_from": {
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    "seed_uuid": "00d8bdb0-3a65-4e77-aee3-452b68d80d9c",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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      }
    }
  },
  "classifications": {
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        "18662-53-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=18662-53-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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