Brightway Flows 1.0
GitHub

Tetranitromethane

621e998ebb5fdb404a72bc41576260c2dc67cc5d

Identity

Substance
fo-584312c48ffc8071 Neutral molecule
Source
stepwise algorithm addition
Unit
kg
Context
Environmental → Water → Unconfined aquifer
CAS
509-14-8
EC
208-094-7

Context

Dimension
Environmental
Media
Water
Water body
Unconfined aquifer

Alternative labels

3

Source lists

1
List Version Source flow Name there Why this flow
stepwise 2006-1.09 ac07cac4-36a2-5875-8896-b5ae8a056203 Methane, tetranitro- The CAS numbers are the same (509-14-8); no flow of this substance sat in that compartment, so this one was created for the row.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
stepwise 2006-1.09 ac07cac4-36a2-5875-8896-b5ae8a056203 Tetranitromethane Water / groundwater exactMatch —

Characterisation factors

2

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
Stepwise 2006 2.-0 LCA consultants Human toxicity, carcinogens — 0.003281 —
Stepwise 2006 brightway-flows Human toxicity, carcinogens — 0.003281 sole

This flow in the difference report

History

The change log and the PROV-O trail (0 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": "MeSH ID: D013774",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:509-14-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=509-14-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methane, tetranitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:509-14-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=509-14-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "TNM",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:509-14-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=509-14-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "CN4O8"
      ],
      "attested_by": {
        "CN4O8": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82372"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:10509"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Tetranitromethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Tetranitromethane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "NYTOUQBROMCLBJ-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "NYTOUQBROMCLBJ-UHFFFAOYSA-N": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82372"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:10509"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        196.031
      ],
      "attested_by": {
        "196.031": [
          "enrich_references.chebi_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82372"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        195.97161,
        195.971613
      ],
      "attested_by": {
        "195.97161": [
          "enrich_references.chebi_semantic"
        ],
        "195.971613": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_82372"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
        "0": [
          "enrich_references.chebi_semantic"
        ]
      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82372"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Tetranitromethane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Tetranitromethane"
        ]
      },
      "attested_by": {
        "Tetranitromethane": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.639K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.007.359",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1468",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=509-14-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82372"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID5021334",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=16146",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Tetranitromethane",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K1G7CKU98F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0258923",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/10509",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[509-14-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#1510",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://www.cdc.gov/niosh-rtecs/PB3D6AA8.html",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82372",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82372"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL261663",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://www.genome.jp/entry/C19300",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_82372"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C19300",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q412241",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:10509;CAS:509-14-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[509-14-8]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Tetranitromethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "621e998ebb5fdb404a72bc41576260c2dc67cc5d",
  "identifier": "",
  "name": "Tetranitromethane",
  "source": "stepwise algorithm addition",
  "cas_numbers": [
    "509-14-8"
  ],
  "ec_numbers": [
    "208-094-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unconfined aquifer"
  },
  "synonyms": [],
  "lcia_methods": [],
  "unit": "kg",
  "input_datasets": [],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unaq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-584312c48ffc8071",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/stepwise/2006-1.09/flow/ac07cac4-36a2-5875-8896-b5ae8a056203",
        "skos:prefLabel": "Tetranitromethane",
        "context": "Water / groundwater",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/621e998ebb5fdb404a72bc41576260c2dc67cc5d"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/621e998ebb5fdb404a72bc41576260c2dc67cc5d"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_stepwise",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "stepwise:2006-1.09:ac07cac4-36a2-5875-8896-b5ae8a056203",
          "Tetranitromethane",
          "",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:509-14-8",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=13",
          "algorithm.selector_reason=new-elementary-flow-created",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto",
          "algorithm.winning_score=3",
          "algorithm.tie_on_top_score=true"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:509-14-8);flow_object_candidates(1);elementary_candidates(13);selector(new-elementary-flow-created);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
      }
    }
  ],
  "_sources": {},
  "cas_match_labels": {},
  "general_comment": "",
  "_transformed": false,
  "_provided": {
    "name": null,
    "synonyms": [],
    "context": [],
    "cas_numbers": [],
    "ec_numbers": [],
    "unit": null
  },
  "elementary_flow_id": "621e998ebb5fdb404a72bc41576260c2dc67cc5d"
}

Something wrong here?

A flow can be wrong in three ways, and they are decided differently. Pick the one that matches what you are looking at.

You do not need to run a build or clone anything. Name the row and say what your evidence is; the measurement is done for you. How contributing works

Keyboard

?
Show or hide this map
/
Focus search
Esc
Close