Consensus flow list

Identity

Type
Chemical salt
CAS
14691-80-6
EC
238-735-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trisodium [hydroxy(oxido)phosphoryl] Phosphate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MCHJTJZKBRENCJ-UHFFFAOYSA-N, MLIKYFGFHUYZAL-UHFFFAOYSA-K
InChI2D string chemrof:inchi2d_string InChI=1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3
IUPAC name chemrof:IUPAC_name Trisodium [hydroxy(oxido)phosphoryl] Phosphate
Molecular formula chemrof:molecular_formula H4Na3O7P2, HNa3O7P2
SMILES string chemrof:smiles_string O=P([O-])([O-])OP(=O)([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=14691-80-6 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131848424 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
bf338927-880a-44cd-9f65-e40de29776d0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
254c9a1b-7278-4030-833e-28f04fbfb1bb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
73070d73-6c22-4829-a3bd-798b43685fe3 Environmental → Air → Indoor EF 3.1 kg 4
bd370d37-53bc-4312-8549-704043294517 Environmental → Air → Long-term EF 3.1 kg 0
62b4d684-f81d-4779-9f23-4c951429599d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
68d794a5-e327-4918-b595-77096961117e Environmental → Air → Unknown EF 3.1 kg 4
2bd47302-b911-4f01-9b3b-001b252143da Environmental → Ground → Agricultural EF 3.1 kg 4
31b11b14-8899-41d8-aa45-b36451a093fa Environmental → Ground → Non-agricultural EF 3.1 kg 4
60767c27-3d80-4e53-9581-f602ee7bb77e Environmental → Ground → Unknown EF 3.1 kg 4
19681a38-d20a-49a8-9ea8-87158b86d2b0 Environmental → Water → Long-term EF 3.1 kg 0
7dffd1d5-6cb3-4aea-9d73-2480bd33a0ab Environmental → Water → Ocean EF 3.1 kg 4
d27a940e-fe10-4739-b087-8cbcd640e099 Environmental → Water → Surface water EF 3.1 kg 4
3cb1ca40-12c9-42f0-9e23-abc7d366ffd0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-98c9b6911a6b5b19",
  "prefLabel": [
    {
      "@value": "Trisodium [hydroxy(oxido)phosphoryl] Phosphate",
      "@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": "Diphosphoric acid, sodium salt (1:3)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14691-80-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diphosphoric acid, trisodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:14691-80-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14691-80-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pyrophosphoric acid, trisodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:14691-80-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=14691-80-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium phosphate (Na3HP2O7)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium pyrophosphate (Na3HP2O7)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=14691-80-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium diphosphate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium monohydrogen diphosphate",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Trisodium monohydrogen diphosphate (Na3HP2O7)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium monohydrogen pyrophosphate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium pyrophosphate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trisodium pyrophosphate (Na3HP2O7)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "H4Na3O7P2",
        "HNa3O7P2"
      ],
      "attested_by": {
        "H4Na3O7P2": [
          "enrich_references.pubchem_semantic"
        ],
        "HNa3O7P2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=P([O-])([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "MCHJTJZKBRENCJ-UHFFFAOYSA-N",
        "MLIKYFGFHUYZAL-UHFFFAOYSA-K"
      ],
      "attested_by": {
        "MCHJTJZKBRENCJ-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "MLIKYFGFHUYZAL-UHFFFAOYSA-K": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "O=P([O-])([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=P([O-])([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Trisodium [hydroxy(oxido)phosphoryl] Phosphate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=P([O-])([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=P([O-])([O-])OP(=O)([O-])O.[Na+].[Na+].[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/3Na.H4O7P2/c;;;1-8(2,3)7-9(4,5)6/h;;;(H2,1,2,3)(H2,4,5,6)/q3*+1;/p-3"
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        {
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          ]
        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Trisodium [hydroxy(oxido)phosphoryl] Phosphate": [
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        ]
      }
    }
  },
  "references": [
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      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
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        "prov:wasDerivedFrom": "pubchem.by_cas[14691-80-6]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "19681a38-d20a-49a8-9ea8-87158b86d2b0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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