Consensus flow list

Identity

Substance
fo-b6960cf8b71ce3d8 ChemicalSalt
Source
EF 3.1
Unit
kg
Context
Environmental → Air → Indoor
CAS
84332-87-6
EC
282-716-5

Context

Dimension
Environmental
Indoor
Unknown
Media
Air

Alternative labels

1

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 01f5e9d6-7fa4-43fd-8063-3bcf00f19e11 diammonium propane-1,2-diylbis(dithiocarbamate) 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 01f5e9d6-7fa4-43fd-8063-3bcf00f19e11 diammonium propane-1,2-diylbis(dithiocarbamate) Emissions/Emissions to air/Emissions to air, indoor 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": "Carbamodithioic acid, (1-methyl-1,2-ethanediyl)bis-, diammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:84332-87-6",
          "https://commonchemistry.cas.org/detail?cas_rn=84332-87-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C5H16N4S4"
      ],
      "attested_by": {
        "C5H16N4S4": [
          "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:14129967",
            "CID:44145334"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XJQIWXCAMHSQTA-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "XJQIWXCAMHSQTA-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": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Diammonium Propane-1,2-diylbis(dithiocarbamate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H10N2S4.2H3N/c1-3(7-5(10)11)2-6-4(8)9;;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);2*1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Diammonium Propane-1,2-diylbis(dithiocarbamate)"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C5H10N2S4.2H3N/c1-3(7-5(10)11)2-6-4(8)9;;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);2*1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Diammonium Propane-1,2-diylbis(dithiocarbamate)"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
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        "prov:hadPrimarySource": [
          "Diammonium Propane-1,2-diylbis(dithiocarbamate)"
        ]
      },
      "attested_by": {
        "Diammonium Propane-1,2-diylbis(dithiocarbamate)": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        260.479
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "260.479": [
          "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": [
        260.025781
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(CNC(=S)[S-])NC(=S)[S-].[NH4+].[NH4+]"
          ]
        }
      ],
      "attested_by": {
        "260.025781": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.075.172",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:44145334;CAS:84332-87-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84332-87-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=84332-87-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID301004634",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84332-87-6]"
      }
    },
    {
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[84332-87-6]"
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    },
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    },
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[84332-87-6]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Diammonium Propane-1,2-diylbis(dithiocarbamate)",
      "@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": "01f5e9d6-7fa4-43fd-8063-3bcf00f19e11",
  "identifier": "01f5e9d6-7fa4-43fd-8063-3bcf00f19e11",
  "source": "EF 3.1",
  "cas_numbers": [
    "84332-87-6"
  ],
  "ec_numbers": [
    "282-716-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "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": 39009.0
    },
    {
      "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": 39009.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-b6960cf8b71ce3d8",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/01f5e9d6-7fa4-43fd-8063-3bcf00f19e11",
        "skos:prefLabel": "diammonium propane-1,2-diylbis(dithiocarbamate)",
        "context": "Emissions/Emissions to air/Emissions to air, indoor",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/01f5e9d6-7fa4-43fd-8063-3bcf00f19e11"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/01f5e9d6-7fa4-43fd-8063-3bcf00f19e11"
      },
      "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": "normalise_property_values",
    "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": {
    "84332-87-6": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "diammonium propane-1,2-diylbis(dithiocarbamate)",
    "synonyms": [
      "organic",
      "diammoniumpropylenebis(dithiocarbamate)"
    ],
    "context": [
      "Emissions",
      "Emissions to air",
      "Emissions to air, indoor"
    ],
    "cas_numbers": [
      "84332-87-6"
    ],
    "ec_numbers": [
      "282-716-5"
    ],
    "unit": "kg"
  }
}

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