{
  "uuid": "65426f66-9694-4859-bd60-e0e78d3cf794",
  "name": null,
  "cas_numbers": [
    "111687-36-6"
  ],
  "ec_numbers": [
    "400-660-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "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": 22.208
    },
    {
      "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": 8.1966e-7
    },
    {
      "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": 8.1966e-7
    },
    {
      "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": 22.208
    }
  ],
  "source": "EF 3.1",
  "identifier": "65426f66-9694-4859-bd60-e0e78d3cf794",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "65426f66-9694-4859-bd60-e0e78d3cf794",
      "source_flow_name": "1,3-propylenediamine-n,n,n',n'-tetraacetic acid ammonium iron(+3) salt[dutch c.a.: ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "name:azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
          "https://pubchem.ncbi.nlm.nih.gov/compound/159534"
        ],
        "prov:wasDerivedFrom": "pubchem preferred label selection"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H18FeN3O8",
        "C11H18KN3O8-2",
        "C8H12FeN3O8+2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534",
          "CID:73557145",
          "CID:177839063"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "APFKNMHFZHKCAD-UHFFFAOYSA-K",
        "HXPRIPOCSQBZIN-UHFFFAOYSA-K",
        "KDPZUMITOBOWKM-UHFFFAOYSA-K"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534",
          "CID:73557145",
          "CID:177839063"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(CN(CC(=O)[O-])C(=O)[O-])CN(C(=O)[O-])C(=O)[O-].[NH4+].[Fe+5]",
        "C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3]",
        "C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[K+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534",
          "CID:73557145",
          "CID:177839063"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H18N2O8.Fe.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+3;/p-3",
        "InChI=1S/C11H18N2O8.K.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+1;/p-3",
        "InChI=1S/C8H12N2O8.Fe.H3N/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18;;/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;1H3/q;+5;/p-3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534",
          "CID:73557145",
          "CID:177839063"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "ammonium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
        "ammonium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]acetate;iron(5+)",
        "ammonium;ferric;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate",
        "ammonium;potassium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate",
        "azanium;2-[3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate;iron(3+)",
        "azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
        "azanium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]acetate;iron(5+)",
        "azanium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]ethanoate;iron(5+)",
        "azanium;potassium;2-[3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate",
        "azanium;potassium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534",
          "CID:73557145",
          "CID:177839063"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.100.265",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111687-36-6]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.202.322",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111687-36-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "111687-36-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8029573",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:177839063;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111687-36-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Y87L28QN8T",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111687-36-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/159534",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:159534;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[111687-36-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/177839063",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:177839063;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[111687-36-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/73557145",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:73557145;CAS:111687-36-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[111687-36-6]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Diaminopropanetetraacetic acid iron(III) ammonium salt",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ammonium (1,3-diaminopropanetetraacetato)iron(III)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ammonium 1,3-propylenediaminetetraacetatoferrate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)glycinato]](4-)-<em>N</em>,<em>N</em>′,<em>O</em>,<em>O</em>′,<em>O</em><sup>N</sup>,<em>O</em><sup>N′</sup>]-, ammonium, (<em>OC</em>-6-21)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium (1:1), (<em>OC</em>-6-21)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium, (<em>OC</em>-6-21)-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glycine, <em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)-, iron complex",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "https://commonchemistry.cas.org/detail?cas_rn=111687-36-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "111687-36-6": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/65426f66-9694-4859-bd60-e0e78d3cf794",
        "skos:prefLabel": "1,3-propylenediamine-n,n,n',n'-tetraacetic acid ammonium iron(+3) salt[dutch c.a.: ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/65426f66-9694-4859-bd60-e0e78d3cf794"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "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"
        ]
      }
    }
  ],
  "flow_object_id": "fo-e7277d8cb0e14399"
}