← Back to consensus flows

4-nitropyridine

2D structure
UUID 8c40c3e2-8f3a-49e8-a78e-64e7a7c8f183
Deprecated yes
Replaced By 6bfc5851-2f8f-4bcb-9cfa-2d350f2a3dd7
Flow Object IDfo-6fbcacccee1f1677
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1122-61-8
prefLabel
Language Value Provenance
en 4-nitropyridine
References
Shared Properties
Predicate Value
InChIKey FEXIEMAAKBNTFK-UHFFFAOYSA-N, ISEUFVQQFVOBCY-UHFFFAOYSA-N
InChI InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
IUPAC name 4-nitropyridine
Molecular formula C10H19N5O, C5H4N2O2
Molecular mass 124.099
Monoisotopic mass 124.027277
SMILES O=[N+]([O-])c1ccncc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8c40c3e2-8f3a-49e8-a78e-64e7a7c8f183 4-nitropyridine

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=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
cas_match_labels None {'1122-61-8': 'exactMatch'} group_key=4-nitropyridine||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['pubchem']; cas_sources={'1122-61-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6fbcacccee1f1677: {'1122-61-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8c40c3e2-8f3a-49e8-a78e-64e7a7c8f183",
  "name": null,
  "cas_numbers": [
    "1122-61-8"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "8c40c3e2-8f3a-49e8-a78e-64e7a7c8f183",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "8c40c3e2-8f3a-49e8-a78e-64e7a7c8f183",
      "source_flow_name": "4-nitropyridine",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-nitropyridine",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "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",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-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": [
        "C10H19N5O",
        "C5H4N2O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4928",
            "CID:70734"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FEXIEMAAKBNTFK-UHFFFAOYSA-N",
        "ISEUFVQQFVOBCY-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:4928",
            "CID:70734"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=[N+]([O-])c1ccncc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-nitropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-nitropyridine"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-nitropyridine"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-nitropyridine"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "124.099"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CN=CC=C1[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ],
      "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": [
        "124.027277"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1=CN=CC=C1[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=[N+]([O-])c1ccncc1"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J478.422G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.507I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.015.044",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.286.851",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1122-61-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "1122-61-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1610-18-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2074453",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6022341",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163048",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30350",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://en.wikipedia.org/wiki/Prometon",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/59D3DS58ZB",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DY7SQ0399L",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0246547",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0256804",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4928",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1122-61-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70734",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34934",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1486524",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4577515",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C14186",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55051",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72496022",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70734;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q7249739",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4928;CAS:1122-61-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1122-61-8]"
      }
    }
  ],
  "cas_match_labels": {
    "1122-61-8": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:6bfc5851-2f8f-4bcb-9cfa-2d350f2a3dd7",
  "is_replaced_by_uuid": "6bfc5851-2f8f-4bcb-9cfa-2d350f2a3dd7",
  "flow_object_id": "fo-6fbcacccee1f1677"
}