Consensus flow list

Identity

Substance
fo-a9aa55c03e17e774 ChemicalSalt
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Long-term
CAS
84281-74-3
EC
282-617-7

Context

Dimension
Environmental
Media
Water
Water body
Long-term

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 475d5261-c536-470b-b38a-7b8347b9304f 4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) acetate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 475d5261-c536-470b-b38a-7b8347b9304f 4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) acetate Emissions/Emissions to water/Emissions to water, unspecified (long-term) exactMatch

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

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Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "1,3-Benzenediamine, coupled with diazotized <em>m</em>-phenylenediamine, acetates",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84281-74-3",
          "https://commonchemistry.cas.org/detail?cas_rn=84281-74-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate"
        ]
      },
      "attested_by": {
        "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1N=Nc1cccc(N=Nc2ccc([NH3+])cc2N)c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
        }
      ],
      "attested_by": {
        "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C18H18N8.2C2H4O2/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;2*1-2(3)4/h1-10H,19-22H2;2*1H3,(H,3,4)/b25-23+,26-24+;;"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C18H18N8.2C2H4O2/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;2*1-2(3)4/h1-10H,19-22H2;2*1H3,(H,3,4)/b25-23+,26-24+;;": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "VNLHFBVWKXKWOS-SPBSJSFYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
        ]
      },
      "attested_by": {
        "VNLHFBVWKXKWOS-SPBSJSFYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C22H26N8O4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
        ]
      },
      "attested_by": {
        "C22H26N8O4": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        466.502
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
        ]
      },
      "attested_by": {
        "466.502": [
          "rdkit_post_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": [
        466.207701
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
        ]
      },
      "attested_by": {
        "466.207701": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
      "rdfs:label": "isomeric smiles string",
      "@value": [
        "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1"
          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:wasDerivedFrom": "smiles_string"
        }
      ]
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84281-74-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "84281-74-3"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "475d5261-c536-470b-b38a-7b8347b9304f",
  "identifier": "475d5261-c536-470b-b38a-7b8347b9304f",
  "source": "EF 3.1",
  "cas_numbers": [
    "84281-74-3"
  ],
  "ec_numbers": [
    "282-617-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Long-term"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.0
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-lote",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-a9aa55c03e17e774",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/475d5261-c536-470b-b38a-7b8347b9304f",
        "skos:prefLabel": "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) acetate",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified (long-term)",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/475d5261-c536-470b-b38a-7b8347b9304f"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/475d5261-c536-470b-b38a-7b8347b9304f"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "properties": "link_flows_to_their_substance",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "84281-74-3": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) acetate",
    "synonyms": [
      "organic",
      "1,3-benzenediamine,coupledwithdiazotizedm-phenylenediamine,acetates"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified (long-term)"
    ],
    "cas_numbers": [
      "84281-74-3"
    ],
    "ec_numbers": [
      "282-617-7"
    ],
    "unit": "kg"
  }
}

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