Consensus flow list

Identity

Substance
fo-5f0b33337cf1cc4b Chemical salt
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
84057-97-6
EC
400-100-8

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 9da2431d-4cb3-46cd-8417-c44177013c4f sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate 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 9da2431d-4cb3-46cd-8417-c44177013c4f sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate Emissions/Emissions to water/Emissions to fresh water exactMatch

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater 48,832
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 48,832 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 48,832
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 48,832 sole

This flow in the difference report

History

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

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON
{
  "altLabel": [
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, monosodium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84057-97-6",
          "https://commonchemistry.cas.org/detail?cas_rn=84057-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[2-methyl-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]amino]-9,10-dioxo-, sodium salt (1:1)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84057-97-6",
          "https://commonchemistry.cas.org/detail?cas_rn=84057-97-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C28H22N3NaO7S2",
        "C28H23N3NaO7S2"
      ],
      "attested_by": {
        "C28H23N3NaO7S2": [
          "enrich_references.pubchem_semantic"
        ],
        "C28H22N3NaO7S2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:131885758"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HUVRATWEFXEASA-UHFFFAOYSA-M",
        "SVQQEFBGCCFFHP-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "SVQQEFBGCCFFHP-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "HUVRATWEFXEASA-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:131885758"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[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/C28H23N3O7S2.Na/c1-15-7-11-18(12-8-15)39(34,35)31-17-10-9-16(2)21(13-17)30-22-14-23(40(36,37)38)26(29)25-24(22)27(32)19-5-3-4-6-20(19)28(25)33;/h3-14,30-31H,29H2,1-2H3,(H,36,37,38);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)c2)cc1.[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C28H23N3O7S2.Na/c1-15-7-11-18(12-8-15)39(34,35)31-17-10-9-16(2)21(13-17)30-22-14-23(40(36,37)38)26(29)25-24(22)27(32)19-5-3-4-6-20(19)28(25)33;/h3-14,30-31H,29H2,1-2H3,(H,36,37,38);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"
        ]
      },
      "attested_by": {
        "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84057-97-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:131885758;CAS:84057-97-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84057-97-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131885758",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:131885758;CAS:84057-97-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84057-97-6]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate",
      "@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": "9da2431d-4cb3-46cd-8417-c44177013c4f",
  "identifier": "9da2431d-4cb3-46cd-8417-c44177013c4f",
  "source": "EF 3.1",
  "cas_numbers": [
    "84057-97-6"
  ],
  "ec_numbers": [
    "400-100-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 48832.0
    },
    {
      "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": 48832.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-5f0b33337cf1cc4b",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/9da2431d-4cb3-46cd-8417-c44177013c4f",
        "skos:prefLabel": "sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/9da2431d-4cb3-46cd-8417-c44177013c4f"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/9da2431d-4cb3-46cd-8417-c44177013c4f"
      },
      "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",
    "properties": "withhold_ambiguous_mass",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "84057-97-6": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "sodium 1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate",
    "synonyms": [
      "organic",
      "sodium1-amino-4-[2-methyl-5-(4-methylphenylsulfonylamino)phenylamino]anthraquinone-2-sulfonate"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "84057-97-6"
    ],
    "ec_numbers": [
      "400-100-8"
    ],
    "unit": "kg"
  }
}

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