Isonicotinamide
Everything that changed this flow. Back to the flow
b768775d-836e-45ff-a5f4-6158fba58bdc
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 82353' (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=isonicotinamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1453-82-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f25b97a63187a054: {'1453-82-3': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1453-82-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6031']; candidate_pubchem_cids=[3772, 15074, 3160970]; selected_pubchem_cids=[15074]; 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 |
|---|---|---|---|---|---|
| 6,388 | bootstrap_labels | prefLabel | — | [{"@value":"isonicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 6,389 | bootstrap_labels | name | isonicotinamide | — | Purged legacy name field to enforce prefLabel usage |
| 6,390 | bootstrap_labels | synonyms | [".gamma.-Pyridinecarboxamide","4-Carbamoylpyridine","4-PYRIDINECARBOXAMIDE","4PyrCON","AC1L253K","AKOS005067580","BB_S… | [] | Removed legacy synonyms field in favor of structured labels |
| 158,672 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 158,673 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,473 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,562 | normalize_name_case | prefLabel | [{"@value":"isonicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Isonicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,318 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,319 | enrich_references | skos_definition | — | [{"@value":"A pyridinecarboxamide that is the monocarboxylic acid amide derivative of isonicotinic acid.","@language":"… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,320 | enrich_references | references | [] | [{"@id":"gmelin:3038","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['1453-82-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_6031']; candidate_pubchem_cids=[3772, 15074, 3160970]; selected_pubchem_cids=[15074]; 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 |
| 250,084 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | rdkit_pre_consensus from 'C1=CN=CC=C1C(=O)N'; added: monoisotopic_mass |
| 255,168 | chebi_altlabels | altLabel | [] | [{"@value":"4-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,106 | consensus_match | altLabel | [{"@value":"4-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"4-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=isonicotinamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1453-82-3; added Common Chemistry CAS names as altLabel: 4-(Aminocarbonyl)pyridine, 4-Amidopyridine, 4-Pyridinecarboxylic acid amide, Isoniacinamide, NSC 82353, Pyridine-4-carbamide, γ-Pyridinecarboxamide; object_uuid=fo-f25b97a63187a054 |
| 268,107 | consensus_match | cas_match_labels | — | {"1453-82-3":"exactMatch"} | group_key=isonicotinamide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1453-82-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f25b97a63187a054: {'1453-82-3': 'exactMatch'} |
| 275,223 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isonicotinamide' |
| 281,724 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | rdkit_post_consensus from 'NC(=O)c1ccncc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,555 | strip_catalogue_altlabels | altLabel | [{"@value":"4-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"4-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 82353' (registry code) |
| 360,360 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b768775d-836e-… | associations resolved on the elementary layer |
| 389,526 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6N2O"],… | typed the way the ontology types it |
| 396,717 | 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/20260822T0600486828500000/6388 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v0 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v1 |
| ef:activity/change/20260822T0600486828500000/6389 | name | ef:agent/bootstrap_labels | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v1 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v2 |
| ef:activity/change/20260822T0600486828500000/6390 | synonyms | ef:agent/bootstrap_labels | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v2 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v3 |
| ef:activity/change/20260822T0600486828500000/158672 | context | ef:agent/default_context_mapping | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v3 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v4 |
| ef:activity/change/20260822T0600486828500000/158673 | context_iri | ef:agent/default_context_mapping | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v4 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v5 |
| ef:activity/change/20260822T0600486828500000/215473 | unit_iri | ef:agent/unit_normalization | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v5 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v6 |
| ef:activity/change/20260822T0600486828500000/222562 | prefLabel | ef:agent/normalize_name_case | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v6 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v7 |
| ef:activity/change/20260822T0600486828500000/233318 | properties | ef:agent/enrich_references | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v7 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v8 |
| ef:activity/change/20260822T0600486828500000/233319 | skos_definition | ef:agent/enrich_references | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v8 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v9 |
| ef:activity/change/20260822T0600486828500000/233320 | references | ef:agent/enrich_references | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v9 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v10 |
| ef:activity/change/20260822T0600486828500000/250084 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v10 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v11 |
| ef:activity/change/20260822T0600486828500000/255168 | altLabel | ef:agent/chebi_altlabels | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v11 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v12 |
| ef:activity/change/20260822T0600486828500000/268106 | altLabel | ef:agent/consensus_match | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v12 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v13 |
| ef:activity/change/20260822T0600486828500000/268107 | cas_match_labels | ef:agent/consensus_match | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v13 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v14 |
| ef:activity/change/20260822T0600486828500000/275223 | properties | ef:agent/opsin_iupac | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v14 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v15 |
| ef:activity/change/20260822T0600486828500000/281724 | properties | ef:agent/rdkit_post_consensus | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v15 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v16 |
| ef:activity/change/20260822T0600486828500000/288555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v16 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v17 |
| ef:activity/change/20260822T0600486828500000/360360 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v17 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v18 |
| ef:activity/change/20260822T0600486828500000/389526 | properties | ef:agent/normalise_property_values | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v18 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v19 |
| ef:activity/change/20260822T0600486828500000/396717 | types | ef:agent/link_flows_to_their_substance | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v19 | ef:flow/b768775d-836e-45ff-a5f4-6158fba58bdc/v20 |