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Butatriene

2D structure
UUID 185ad067-02f3-4e37-a2d0-43a8735d9f43
Flow Object IDfo-95a35b01492b0217
Source ecoinvent-3.12
Context Environmental → Air → Ground level → Unknown
CAS Numbers 2873-50-9
prefLabel
Language Value Provenance
en Butatriene
altLabel
Language Value Provenance
en 1,2,3-butatriene
en CH2=C=C=CH2
en buta-1,2,3-triene
Definitions
Language Value Provenance
en A cumulene containing 3 double bonds with formula C4H4.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey WHVXVDDUYCELKP-UHFFFAOYSA-N
InChI InChI=1S/C4H4/c1-3-4-2/h1-2H2
Molecular formula C4H4
Molecular mass 52.076
Monoisotopic mass 52.0313
SMILES C=C=C=C

Source List References

List Version Source Flow UUID Source Flow Name
ecoinvent 3.12 185ad067-02f3-4e37-a2d0-43a8735d9f43 Butatriene
ecoinvent 3.12 185ad067-02f3-4e37-a2d0-43a8735d9f43 Butatriene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
https://vocab.brightway.one/ecoinvent/3.12/flow/185ad067-02f3-4e37-a2d0-43a8735d9f43 Butatriene air / unspecified kg closeMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
cas_match_labels 1 — consensus_match group_key=butatriene||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; group_sources=['chebi']; cas_sources={'2873-50-9': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-95a35b01492b0217: {'2873-50-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'2873-50-9': 'exactMatch'} group_key=butatriene||dimension=Environmental > media=Air > strata=Ground level > population_density=Unknown; group_sources=['chebi']; cas_sources={'2873-50-9': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-95a35b01492b0217: {'2873-50-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "185ad067-02f3-4e37-a2d0-43a8735d9f43",
  "name": null,
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Unknown"
  },
  "unit": "kg",
  "source": "ecoinvent-3.12",
  "cas_numbers": [
    "2873-50-9"
  ],
  "identifier": "185ad067-02f3-4e37-a2d0-43a8735d9f43",
  "ec_numbers": [],
  "synonyms": [],
  "lcia_methods": [],
  "input_datasets": [
    "ecoinvent-3.12"
  ],
  "source_refs": [
    {
      "list_name": "ecoinvent",
      "list_version": "3.12",
      "source_flow_uuid": "185ad067-02f3-4e37-a2d0-43a8735d9f43",
      "source_flow_name": "Butatriene",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/additional-flow-input-ecoinvent-3.12-no-match.json",
        "input_dataset": "ecoinvent-3.12"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Butatriene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "chebi_altlabels",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C=C=C=C"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C4H4/c1-3-4-2/h1-2H2"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WHVXVDDUYCELKP-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "52.076"
      ],
      "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": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "52.0313"
      ],
      "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": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_37609"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C=C=C=C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_37609"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    }
  },
  "skos:definition": [
    {
      "@value": "A cumulene containing 3 double bonds with formula C<small><sub>4</sub></small>H<small><sub>4</sub></small>.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_37609"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "references": [
    {
      "@id": "beilstein:1718757",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_37609"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2873-50-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_37609"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37609",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_37609"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,3-butatriene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:1,2,3-butatriene",
          "http://purl.obolibrary.org/obo/CHEBI_37609",
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CH2=C=C=CH2",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:CH2=C=C=CH2",
          "http://purl.obolibrary.org/obo/CHEBI_37609",
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "buta-1,2,3-triene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:buta-1,2,3-triene",
          "http://purl.obolibrary.org/obo/CHEBI_37609",
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "cas_match_labels": {
    "2873-50-9": "exactMatch"
  },
  "flow_object_id": "fo-95a35b01492b0217",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/185ad067-02f3-4e37-a2d0-43a8735d9f43",
        "skos:prefLabel": "Butatriene",
        "context": "air / unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/185ad067-02f3-4e37-a2d0-43a8735d9f43"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#closeMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "merge_ecoinvent",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent:3.12:185ad067-02f3-4e37-a2d0-43a8735d9f43",
          "Butatriene",
          "ecoinvent-3.11-biosphere-EF-3.1-biosphere",
          "algorithm.lookup_order=cas>ec>label",
          "algorithm.basis=cas:2873-50-9",
          "algorithm.flow_object_candidates=1",
          "algorithm.elementary_candidates=1",
          "algorithm.selector_reason=exact-context-iri-match",
          "algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty"
        ],
        "prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:2873-50-9);flow_object_candidates(1);elementary_candidates(1);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty"
      }
    }
  ]
}