3-Cyanopyridine
Everything that changed this flow. Back to the flow
251af126-bf36-44a9-a93f-cc90963e2832
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 17558' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=100-54-9; cc_chebi_agreed_name='3-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'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-54-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86556']; candidate_pubchem_cids=[79, 8082, 186003, 2779091]; selected_pubchem_cids=[79]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,744 | bootstrap_labels | prefLabel | — | [{"@value":"nicotinonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 4,745 | bootstrap_labels | name | nicotinonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 4,746 | bootstrap_labels | synonyms | ["3-Azabenzonitrile","3-Cyjanopirydyna","3-PYRIDINECARBONITRILE","3-Pyridinecarboxylic acid, nitrile","3-Pyridinenitril… | [] | Removed legacy synonyms field in favor of structured labels |
| 61,184 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 61,185 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,924 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,187 | normalize_name_case | prefLabel | [{"@value":"nicotinonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Nicotinonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,740 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,741 | enrich_references | skos_definition | — | [{"@value":"A cyanopyridine carrying the cyano group at position 3.","@language":"en","provenance":{"prov:wasGeneratedB… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,742 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.678F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['100-54-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86556']; candidate_pubchem_cids=[79, 8082, 186003, 2779091]; selected_pubchem_cids=[79]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,627 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | rdkit_pre_consensus from 'C1=CC(=CN=C1)C#N'; added: monoisotopic_mass |
| 254,977 | chebi_altlabels | altLabel | [] | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,865 | consensus_match | prefLabel | [{"@value":"Nicotinonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"3-Cyanopyridine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=100-54-9; cc_chebi_agreed_name='3-Cyanopyridine'; object_uuid=fo-6385a5c1bba68c64 |
| 269,866 | consensus_match | altLabel | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | cas=100-54-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-6385a5c1bba68c64 |
| 269,867 | consensus_match | altLabel | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=nicotinonitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=100-54-9; added Common Chemistry CAS names as altLabel: NSC 17558, β-Cyanopyridine; object_uuid=fo-6385a5c1bba68c64 |
| 269,868 | consensus_match | cas_match_labels | — | {"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'} |
| 274,757 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-Cyanopyridine' |
| 281,226 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | rdkit_post_consensus from 'N#Cc1cccnc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,227 | strip_catalogue_altlabels | altLabel | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"3-azabenzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 17558' (registry code) |
| 311,611 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/251af126-bf36-… | associations resolved on the elementary layer |
| 389,068 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H4N2"],"… | typed the way the ontology types it |
| 396,069 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/4744 | prefLabel | ef:agent/bootstrap_labels | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v0 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v1 |
| ef:activity/change/20260821T1554374006150000/4745 | name | ef:agent/bootstrap_labels | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v1 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v2 |
| ef:activity/change/20260821T1554374006150000/4746 | synonyms | ef:agent/bootstrap_labels | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v2 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v3 |
| ef:activity/change/20260821T1554374006150000/61184 | context | ef:agent/default_context_mapping | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v3 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v4 |
| ef:activity/change/20260821T1554374006150000/61185 | context_iri | ef:agent/default_context_mapping | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v4 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v5 |
| ef:activity/change/20260821T1554374006150000/214924 | unit_iri | ef:agent/unit_normalization | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v5 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v6 |
| ef:activity/change/20260821T1554374006150000/222187 | prefLabel | ef:agent/normalize_name_case | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v6 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v7 |
| ef:activity/change/20260821T1554374006150000/231740 | properties | ef:agent/enrich_references | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v7 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v8 |
| ef:activity/change/20260821T1554374006150000/231741 | skos_definition | ef:agent/enrich_references | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v8 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v9 |
| ef:activity/change/20260821T1554374006150000/231742 | references | ef:agent/enrich_references | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v9 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v10 |
| ef:activity/change/20260821T1554374006150000/249627 | properties | ef:agent/rdkit_pre_consensus | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v10 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v11 |
| ef:activity/change/20260821T1554374006150000/254977 | altLabel | ef:agent/chebi_altlabels | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v11 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v12 |
| ef:activity/change/20260821T1554374006150000/269865 | prefLabel | ef:agent/consensus_match | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v12 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v13 |
| ef:activity/change/20260821T1554374006150000/269866 | altLabel | ef:agent/consensus_match | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v13 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v14 |
| ef:activity/change/20260821T1554374006150000/269867 | altLabel | ef:agent/consensus_match | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v14 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v15 |
| ef:activity/change/20260821T1554374006150000/269868 | cas_match_labels | ef:agent/consensus_match | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v15 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v16 |
| ef:activity/change/20260821T1554374006150000/274757 | properties | ef:agent/opsin_iupac | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v16 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v17 |
| ef:activity/change/20260821T1554374006150000/281226 | properties | ef:agent/rdkit_post_consensus | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v17 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v18 |
| ef:activity/change/20260821T1554374006150000/288227 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v18 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v19 |
| ef:activity/change/20260821T1554374006150000/311611 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v19 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v20 |
| ef:activity/change/20260821T1554374006150000/389068 | properties | ef:agent/normalise_property_values | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v20 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v21 |
| ef:activity/change/20260821T1554374006150000/396069 | types | ef:agent/link_flows_to_their_substance | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v21 | ef:flow/251af126-bf36-44a9-a93f-cc90963e2832/v22 |