Consensus flow list

Identity

Type
Molecular complex
CAS
20592-85-2
EC
243-900-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MSCUJESSGOPXGQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);
Molecular formula chemrof:molecular_formula C3H12NNaO9P3
Molecular mass chemrof:molecular_mass 322.039
Monoisotopic mass chemrof:monoisotopic_mass 321.96226
SMILES string chemrof:smiles_string C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]

Known URLs

7

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=15505-05-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=20592-85-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=2235-43-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=4105-01-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7611-50-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=94021-23-5 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/166731226 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
79bd79ab-724d-4e5b-8527-5f7b7e191c5c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
87c4c85e-b75f-4750-9638-96e9482da4c3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e08cad53-9dfc-4083-b864-1398812203d6 Environmental → Air → Indoor EF 3.1 kg 2
a44d3982-57c9-487e-b624-a9f59d746b0d Environmental → Air → Long-term EF 3.1 kg 0
d1c92f38-d9f3-4020-b5fa-638afbdf3837 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fd63803d-6c88-4586-ac1d-05fe645cf04a Environmental → Air → Unknown EF 3.1 kg 2
201c701b-4f88-4466-9bf4-26afae0eb380 Environmental → Ground → Agricultural EF 3.1 kg 2
d6004dc0-a83b-4b5e-a09b-e9e27f55e217 Environmental → Ground → Non-agricultural EF 3.1 kg 2
63de8ebe-ae16-43b3-84df-4d16d85eb5ad Environmental → Ground → Unknown EF 3.1 kg 2
6a4328bb-6cbf-4259-a7a3-4a3076dd8c81 Environmental → Water → Long-term EF 3.1 kg 0
0e6c5e96-352b-46de-b13f-2db7ff688ea3 Environmental → Water → Ocean EF 3.1 kg 2
6ba012f9-4b75-43bc-8cfb-51d2a45ecea2 Environmental → Water → Surface water EF 3.1 kg 2
94e2d845-c21a-484a-8db9-ecef50be2bfc Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-214270738a5647b8",
  "prefLabel": [
    {
      "@value": "Sodium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate",
      "@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": "Amino(trimethylenephosphonic acid) sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Briquest 301 Low AM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cublen A 4015",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Korilat",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nitrilotri(methylenephosphonic acid) sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [nitrilotris(methylene)]tri-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [nitrilotris(methylene)]tris-, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, P,P′,P′′-[nitrilotris(methylene)]tris-, sodium salt (1:?)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sequion 20Na38",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium aminotris(methylenephosphonate)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium nitrilotrimethylenephosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium[nitrilotris(methylene)]trisphosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tris(phosphonomethyl)amine sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:20592-85-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H12NNaO9P3"
      ],
      "attested_by": {
        "C3H12NNaO9P3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:166731226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MSCUJESSGOPXGQ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "MSCUJESSGOPXGQ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:166731226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
      ],
      "attested_by": {
        "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:166731226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);"
      ],
      "attested_by": {
        "InChI=1S/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:166731226"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        322.039
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ],
      "attested_by": {
        "322.039": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        321.96226
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[Na]"
          ]
        }
      ],
      "attested_by": {
        "321.96226": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=15505-05-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2235-43-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=4105-01-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7611-50-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=94021-23-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[20592-85-2]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/166731226",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:166731226;CAS:20592-85-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[20592-85-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0e6c5e96-352b-46de-b13f-2db7ff688ea3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_neutral",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/MolecularComplex"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "20592-85-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=20592-85-2"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "243-900-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=243-900-0"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/MolecularComplex"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.