Isonicotinic Acid
Everything that changed this flow. Back to the flow
bf2fd4f4-7777-4190-a29f-19be74f9f73d
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 1483' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=isonicotinicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-22-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-90f3bfe42708a2e4: {'55-22-1': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55-22-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6032']; candidate_pubchem_cids=[3773, 5922, 94786, 2821720]; selected_pubchem_cids=[5922]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,909 | bootstrap_labels | prefLabel | — | [{"@value":"isonicotinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 11,910 | bootstrap_labels | name | isonicotinic acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,911 | bootstrap_labels | synonyms | [".gamma.-Picolinic acid","1,4-Dihydroisonicotinic acid","4-Carboxypyridine","4-Picolinic acid","4-Pyridine carboxylic… | [] | Removed legacy synonyms field in favor of structured labels |
| 163,108 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 163,109 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 217,286 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,855 | normalize_name_case | prefLabel | [{"@value":"isonicotinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Isonicotinic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,506 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,507 | enrich_references | skos_definition | — | [{"@value":"A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.","@language… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,508 | enrich_references | references | [] | [{"@id":"gmelin:68876","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['55-22-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6032']; candidate_pubchem_cids=[3773, 5922, 94786, 2821720]; selected_pubchem_cids=[5922]; 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 |
| 251,570 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | rdkit_pre_consensus from 'C1=CN=CC=C1C(=O)O'; added: monoisotopic_mass |
| 256,025 | chebi_altlabels | altLabel | [] | [{"@value":"4-carboxypyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,108 | consensus_match | altLabel | [{"@value":"4-carboxypyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"4-carboxypyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=isonicotinicacid||dimension=Environmental > media=Air > strata=Long-term; cas=55-22-1; added Common Chemistry CAS names as altLabel: 4-Picolinic acid, 4-Pyridylcarboxylic acid, NSC 1483, γ-Picolinic acid, γ-Pyridinecarboxylic acid; object_uuid=fo-90f3bfe42708a2e4 |
| 268,109 | consensus_match | cas_match_labels | — | {"55-22-1":"exactMatch"} | group_key=isonicotinicacid||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'55-22-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-90f3bfe42708a2e4: {'55-22-1': 'exactMatch'} |
| 276,753 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isonicotinic Acid' |
| 283,387 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | rdkit_post_consensus from 'O=C(O)c1ccncc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,706 | strip_catalogue_altlabels | altLabel | [{"@value":"4-carboxypyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"4-carboxypyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 1483' (registry code) |
| 362,578 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bf2fd4f4-7777-… | associations resolved on the elementary layer |
| 391,109 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO2"],… | typed the way the ontology types it |
| 399,003 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/11909 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v0 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v1 |
| ef:activity/change/20260822T0600486828500000/11910 | name | ef:agent/bootstrap_labels | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v1 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v2 |
| ef:activity/change/20260822T0600486828500000/11911 | synonyms | ef:agent/bootstrap_labels | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v2 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v3 |
| ef:activity/change/20260822T0600486828500000/163108 | context | ef:agent/default_context_mapping | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v3 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v4 |
| ef:activity/change/20260822T0600486828500000/163109 | context_iri | ef:agent/default_context_mapping | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v4 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v5 |
| ef:activity/change/20260822T0600486828500000/217286 | unit_iri | ef:agent/unit_normalization | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v5 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v6 |
| ef:activity/change/20260822T0600486828500000/223855 | prefLabel | ef:agent/normalize_name_case | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v6 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v7 |
| ef:activity/change/20260822T0600486828500000/238506 | properties | ef:agent/enrich_references | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v7 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v8 |
| ef:activity/change/20260822T0600486828500000/238507 | skos_definition | ef:agent/enrich_references | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v8 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v9 |
| ef:activity/change/20260822T0600486828500000/238508 | references | ef:agent/enrich_references | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v9 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v10 |
| ef:activity/change/20260822T0600486828500000/251570 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v10 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v11 |
| ef:activity/change/20260822T0600486828500000/256025 | altLabel | ef:agent/chebi_altlabels | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v11 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v12 |
| ef:activity/change/20260822T0600486828500000/268108 | altLabel | ef:agent/consensus_match | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v12 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v13 |
| ef:activity/change/20260822T0600486828500000/268109 | cas_match_labels | ef:agent/consensus_match | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v13 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v14 |
| ef:activity/change/20260822T0600486828500000/276753 | properties | ef:agent/opsin_iupac | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v14 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v15 |
| ef:activity/change/20260822T0600486828500000/283387 | properties | ef:agent/rdkit_post_consensus | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v15 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v16 |
| ef:activity/change/20260822T0600486828500000/289706 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v16 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v17 |
| ef:activity/change/20260822T0600486828500000/362578 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v17 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v18 |
| ef:activity/change/20260822T0600486828500000/391109 | properties | ef:agent/normalise_property_values | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v18 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v19 |
| ef:activity/change/20260822T0600486828500000/399003 | types | ef:agent/link_flows_to_their_substance | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v19 | ef:flow/bf2fd4f4-7777-4190-a29f-19be74f9f73d/v20 |