← Back to consensus flows

3-Cyanopyridine

UUID 7b8a11d6-4294-41b4-a0ba-88d89d048c66
Flow Object IDfo-6385a5c1bba68c64
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 100-54-9
EC Numbers 202-863-0
prefLabel ⓘ
Language Value Provenance
en 3-Cyanopyridine
altLabel ⓘ
Language Value Provenance
en 3-azabenzonitrile
en 3-pyridinecarbonitrile
en 3-pyridinenitrile
en 3-pyridyl cyanide
en 3-pyridylcarbonitrile
en beta-cyanopyridine
en nicotinic acid nitrile
en pyridine-3-carbonitrile
en NSC 17558
en Nicotinonitrile
en β-Cyanopyridine
Definitions
Language Value Provenance
en A cyanopyridine carrying the cyano group at position 3.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GZPHSAQLYPIAIN-UHFFFAOYSA-N
InChI InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
IUPAC name 3-pyridinecarbonitrile, nicotinonitrile, pyridine-3-carbonitrile
Molecular formula C6H4N2
Molecular mass 104.112
Monoisotopic mass 104.03745
SMILES C1=CC(=CN=C1)C#N, N#Cc1cccnc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7b8a11d6-4294-41b4-a0ba-88d89d048c66 nicotinonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 nicotinonitrile Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=nicotinonitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=100-54-9; added Common Chemistry CAS names as altLabel: NSC 17558, Nicotinonitrile, β-Cyanopyridine; object_uuid=fo-6385a5c1bba68c64
cas_match_labels 1 — consensus_match group_key=nicotinonitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-54-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6385a5c1bba68c64: {'100-54-9': 'exactMatch'}
prefLabel 1 — consensus_match cas=100-54-9; cc_chebi_agreed_name='3-Cyanopyridine'; object_uuid=fo-6385a5c1bba68c64

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Nicotinonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '3-Cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-54-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=100-54-9; cc_chebi_agreed_name='3-Cyanopyridine'; object_uuid=fo-6385a5c1bba68c64
altLabel [{'@value': '3-azabenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-azabenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-cyanopyridine', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinecarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinenitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridylcarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridylcarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-cyanopyridine', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nicotinic acid nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nicotinic acid nitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pyridine-3-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pyridine-3-carbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-azabenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-azabenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinecarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinenitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridylcarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridylcarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-cyanopyridine', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nicotinic acid nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nicotinic acid nitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pyridine-3-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pyridine-3-carbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Nicotinonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=100-54-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-6385a5c1bba68c64
altLabel [{'@value': '3-azabenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-azabenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinecarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinenitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridylcarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridylcarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-cyanopyridine', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nicotinic acid nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nicotinic acid nitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pyridine-3-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pyridine-3-carbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Nicotinonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3-azabenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-azabenzonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinecarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinecarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridinenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridinenitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-pyridylcarbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-pyridylcarbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-cyanopyridine', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'nicotinic acid nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:nicotinic acid nitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pyridine-3-carbonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pyridine-3-carbonitrile', 'http://purl.obolibrary.org/obo/CHEBI_86556', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'NSC 17558', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-54-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-54-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nicotinonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-54-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-54-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Cyanopyridine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-54-9', 'https://commonchemistry.cas.org/detail?cas_rn=100-54-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=nicotinonitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=100-54-9; added Common Chemistry CAS names as altLabel: NSC 17558, Nicotinonitrile, β-Cyanopyridine; object_uuid=fo-6385a5c1bba68c64
cas_match_labels None {'100-54-9': 'exactMatch'} group_key=nicotinonitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-54-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6385a5c1bba68c64: {'100-54-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7b8a11d6-4294-41b4-a0ba-88d89d048c66",
  "name": null,
  "cas_numbers": [
    "100-54-9"
  ],
  "ec_numbers": [
    "202-863-0"
  ],
  "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": 437.41
    },
    {
      "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": 0.000040192
    },
    {
      "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": 0.000040192
    },
    {
      "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": 437.41
    }
  ],
  "source": "EF 3.1",
  "identifier": "7b8a11d6-4294-41b4-a0ba-88d89d048c66",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "7b8a11d6-4294-41b4-a0ba-88d89d048c66",
      "source_flow_name": "nicotinonitrile",
      "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": "3-Cyanopyridine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "_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": [
        "C6H4N2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_86556"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:79"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CN=C1)C#N",
        "N#Cc1cccnc1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_86556"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:79"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_86556"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:79"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GZPHSAQLYPIAIN-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_86556"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:79"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "104.112"
      ],
      "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_86556"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "104.03745"
      ],
      "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_86556"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
      }
    },
    "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_86556"
        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-pyridinecarbonitrile",
        "nicotinonitrile",
        "pyridine-3-carbonitrile"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [
    {
      "@value": "A cyanopyridine carrying the cyano group at position 3.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.678F",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.002.603",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=100-54-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1026665",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17558",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Nicotinonitrile",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X64V0K6260",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://metacyc.org/compound?orgid=META&id=3-CYANOPYRIDINE",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/79",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[100-54-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020411",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/25679457",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://pubmed.ncbi.nlm.nih.gov/470596",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86556",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_id_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181972",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67388",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q18730591",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:79;CAS:100-54-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[100-54-9]"
      }
    },
    {
      "@id": "reaxys:107711",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_86556"
        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-azabenzonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-azabenzonitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridinecarbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-pyridinecarbonitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridinenitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-pyridinenitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridyl cyanide",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-pyridyl cyanide",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "3-pyridylcarbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:3-pyridylcarbonitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "beta-cyanopyridine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:beta-cyanopyridine",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "nicotinic acid nitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:nicotinic acid nitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "pyridine-3-carbonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "label:pyridine-3-carbonitrile",
          "http://purl.obolibrary.org/obo/CHEBI_86556",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "NSC 17558",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:100-54-9",
          "https://commonchemistry.cas.org/detail?cas_rn=100-54-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nicotinonitrile",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:100-54-9",
          "https://commonchemistry.cas.org/detail?cas_rn=100-54-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Cyanopyridine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:100-54-9",
          "https://commonchemistry.cas.org/detail?cas_rn=100-54-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "100-54-9": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/7b8a11d6-4294-41b4-a0ba-88d89d048c66",
        "skos:prefLabel": "nicotinonitrile",
        "context": "Emissions/Emissions to air/Emissions to urban air close to ground",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/7b8a11d6-4294-41b4-a0ba-88d89d048c66"
      },
      "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-6385a5c1bba68c64"
}