Nicotinic Acid
Everything that changed this flow. Back to the flow
4c8b737a-ef25-4606-9d2d-3b4f52d3861e
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 4 catalogue altLabel value(s): 'CaRo 03' (grade code), 'E 375' (grade code), 'NSC 169454' (registry code), 'SR 4390' (grade 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=nicotinicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'59-67-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f21657fa9b7a488c: {'59-67-6': '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=['59-67-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15940']; candidate_pubchem_cids=[937, 938, 4498, 23472, 85607, 93903, 12198448]; selected_pubchem_cids=[938]; 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 |
|---|---|---|---|---|---|
| 5,997 | bootstrap_labels | prefLabel | — | [{"@value":"nicotinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 5,998 | bootstrap_labels | name | nicotinic acid | — | Purged legacy name field to enforce prefLabel usage |
| 5,999 | bootstrap_labels | synonyms | ["3-Carboxylpyridine","3-Carboxypyridine","3-Picolinic acid","3-pyridinecarboxylic acid","3PyrCOOH","AB00052050","AB100… | [] | Removed legacy synonyms field in favor of structured labels |
| 86,624 | 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) |
| 86,625 | 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) |
| 215,342 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,478 | normalize_name_case | prefLabel | [{"@value":"nicotinic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Nicotinic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,947 | 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) |
| 232,948 | enrich_references | skos_definition | — | [{"@value":"A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,949 | enrich_references | references | [] | [{"@id":"agr:IND607088605","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['59-67-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15940']; candidate_pubchem_cids=[937, 938, 4498, 23472, 85607, 93903, 12198448]; selected_pubchem_cids=[938]; 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 |
| 249,978 | 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=CC(=CN=C1)C(=O)O'; added: monoisotopic_mass |
| 255,129 | chebi_altlabels | altLabel | [] | [{"@value":"3-Pyridylcarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 22 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,861 | consensus_match | altLabel | [{"@value":"3-Pyridylcarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"3-Pyridylcarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=nicotinicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=59-67-6; added Common Chemistry CAS names as altLabel: Akotin, Apelagrin, Bovi-Niacin, CaRo 03, Daskil, E 375, Efacin, Enduracin, Linic, MeSH ID: D009525, Microvit B<sub>3</sub> Promix Niacin, NSC 169454, NiaShure, Niac, Nicacid, Nicangin, Nico-Span, Nicobid, Nicodelmine, Nicolar, Niconacid, Nicosan 3, Nicotinipca, Nicyl, Nyclin, Pellagrin, Pelonin, SR 4390, Slo-niacin, Vitamin B<sub>3</sub> (niacin), Vitamin B<sub>3</sub> (nicotinic acid), Wampocap, β-Pyridinecarboxylic acid; object_uuid=fo-f21657fa9b7a488c |
| 269,862 | consensus_match | cas_match_labels | — | {"59-67-6":"exactMatch"} | group_key=nicotinicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'59-67-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f21657fa9b7a488c: {'59-67-6': 'exactMatch'} |
| 275,111 | 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 'Nicotinic Acid' |
| 281,608 | 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)c1cccnc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,477 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Pyridylcarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"3-Pyridylcarboxylic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 4 catalogue altLabel value(s): 'CaRo 03' (grade code), 'E 375' (grade code), 'NSC 169454' (registry code), 'SR 4390' (grade code) |
| 324,328 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4c8b737a-ef25-… | associations resolved on the elementary layer |
| 389,419 | 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 |
| 396,563 | 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/20260822T0600486828500000/5997 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v0 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v1 |
| ef:activity/change/20260822T0600486828500000/5998 | name | ef:agent/bootstrap_labels | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v1 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v2 |
| ef:activity/change/20260822T0600486828500000/5999 | synonyms | ef:agent/bootstrap_labels | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v2 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v3 |
| ef:activity/change/20260822T0600486828500000/86624 | context | ef:agent/default_context_mapping | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v3 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v4 |
| ef:activity/change/20260822T0600486828500000/86625 | context_iri | ef:agent/default_context_mapping | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v4 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v5 |
| ef:activity/change/20260822T0600486828500000/215342 | unit_iri | ef:agent/unit_normalization | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v5 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v6 |
| ef:activity/change/20260822T0600486828500000/222478 | prefLabel | ef:agent/normalize_name_case | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v6 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v7 |
| ef:activity/change/20260822T0600486828500000/232947 | properties | ef:agent/enrich_references | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v7 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v8 |
| ef:activity/change/20260822T0600486828500000/232948 | skos_definition | ef:agent/enrich_references | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v8 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v9 |
| ef:activity/change/20260822T0600486828500000/232949 | references | ef:agent/enrich_references | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v9 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v10 |
| ef:activity/change/20260822T0600486828500000/249978 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v10 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v11 |
| ef:activity/change/20260822T0600486828500000/255129 | altLabel | ef:agent/chebi_altlabels | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v11 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v12 |
| ef:activity/change/20260822T0600486828500000/269861 | altLabel | ef:agent/consensus_match | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v12 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v13 |
| ef:activity/change/20260822T0600486828500000/269862 | cas_match_labels | ef:agent/consensus_match | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v13 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v14 |
| ef:activity/change/20260822T0600486828500000/275111 | properties | ef:agent/opsin_iupac | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v14 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v15 |
| ef:activity/change/20260822T0600486828500000/281608 | properties | ef:agent/rdkit_post_consensus | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v15 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v16 |
| ef:activity/change/20260822T0600486828500000/288477 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v16 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v17 |
| ef:activity/change/20260822T0600486828500000/324328 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v17 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v18 |
| ef:activity/change/20260822T0600486828500000/389419 | properties | ef:agent/normalise_property_values | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v18 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v19 |
| ef:activity/change/20260822T0600486828500000/396563 | types | ef:agent/link_flows_to_their_substance | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v19 | ef:flow/4c8b737a-ef25-4606-9d2d-3b4f52d3861e/v20 |