Nicotinamide
Everything that changed this flow. Back to the flow
fdda3791-636f-4dd6-8b4e-93996523640f
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 2 catalogue altLabel value(s): 'NSC 13128' (registry code), 'NSC 27452' (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=nicotinamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-92-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-33cafe676c2230de: {'98-92-0': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['98-92-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17154']; candidate_pubchem_cids=[936, 938, 92980, 16638467]; selected_pubchem_cids=[936]; 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 |
|---|---|---|---|---|---|
| 6,400 | bootstrap_labels | prefLabel | — | [{"@value":"nicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 6,401 | bootstrap_labels | name | nicotinamide | — | Purged legacy name field to enforce prefLabel usage |
| 6,402 | bootstrap_labels | synonyms | [".beta.-Pyridinecarboxamide","1yc5","3 Pyridinecarboxamide","3-Carbamoylpyridine","3-Pyridinecarboxamide","3-Pyridinec… | [] | Removed legacy synonyms field in favor of structured labels |
| 202,254 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 202,255 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 215,483 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,572 | normalize_name_case | prefLabel | [{"@value":"nicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Nicotinamide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,337 | 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) |
| 233,338 | enrich_references | skos_definition | — | [{"@value":"A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide gro… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,339 | enrich_references | references | [] | [{"@id":"drugcentral:1906","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['98-92-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17154']; candidate_pubchem_cids=[936, 938, 92980, 16638467]; selected_pubchem_cids=[936]; 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 |
| 250,095 | 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=CC(=CN=C1)C(=O)N'; added: monoisotopic_mass |
| 255,178 | chebi_altlabels | altLabel | [] | [{"@value":"3-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 22 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,873 | consensus_match | altLabel | [{"@value":"3-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"3-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=nicotinamide||dimension=Environmental > media=Ground > geography=Unknown; cas=98-92-0; added Common Chemistry CAS names as altLabel: 3-(Aminocarbonyl)pyridine, 3-Amidopyridine, 3-Pyridinecarboxylic acid amide, Aminicotin, Benicot, Delonin Amide, Dipegyl, Macamin NC, NAM, NSC 13128, NSC 27452, Niavit PP, Nicamina, Nicamindon, Nicasir, Nicobion, Nicofort, Nicosan 2, Nicosylamide, Nicotilamide, Nicovit, Nicovitina, Nictoamide, Niocinamide, Niozymin, Papulex, Pelmin, Pelmine, Pelonin amide, Vi-Nicotyl, Vitamin B, Vitamin B<sub>3</sub> (niacinamide), Vitamin B<sub>3</sub> (nicotinamide), β-Pyridinecarboxamide; object_uuid=fo-33cafe676c2230de |
| 269,874 | consensus_match | cas_match_labels | — | {"98-92-0":"exactMatch"} | group_key=nicotinamide||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'98-92-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-33cafe676c2230de: {'98-92-0': 'exactMatch'} |
| 275,247 | 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 'Nicotinamide' |
| 281,746 | 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)c1cccnc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,578 | strip_catalogue_altlabels | altLabel | [{"@value":"3-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"3-carbamoylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 2 catalogue altLabel value(s): 'NSC 13128' (registry code), 'NSC 27452' (registry code) |
| 382,181 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fdda3791-636f-… | associations resolved on the elementary layer |
| 389,550 | 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 |
| 396,743 | 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/20260820T0738569779880000/6400 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v0 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v1 |
| ef:activity/change/20260820T0738569779880000/6401 | name | ef:agent/bootstrap_labels | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v1 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v2 |
| ef:activity/change/20260820T0738569779880000/6402 | synonyms | ef:agent/bootstrap_labels | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v2 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v3 |
| ef:activity/change/20260820T0738569779880000/202254 | context | ef:agent/default_context_mapping | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v3 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v4 |
| ef:activity/change/20260820T0738569779880000/202255 | context_iri | ef:agent/default_context_mapping | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v4 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v5 |
| ef:activity/change/20260820T0738569779880000/215483 | unit_iri | ef:agent/unit_normalization | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v5 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v6 |
| ef:activity/change/20260820T0738569779880000/222572 | prefLabel | ef:agent/normalize_name_case | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v6 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v7 |
| ef:activity/change/20260820T0738569779880000/233337 | properties | ef:agent/enrich_references | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v7 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v8 |
| ef:activity/change/20260820T0738569779880000/233338 | skos_definition | ef:agent/enrich_references | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v8 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v9 |
| ef:activity/change/20260820T0738569779880000/233339 | references | ef:agent/enrich_references | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v9 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v10 |
| ef:activity/change/20260820T0738569779880000/250095 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v10 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v11 |
| ef:activity/change/20260820T0738569779880000/255178 | altLabel | ef:agent/chebi_altlabels | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v11 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v12 |
| ef:activity/change/20260820T0738569779880000/269873 | altLabel | ef:agent/consensus_match | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v12 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v13 |
| ef:activity/change/20260820T0738569779880000/269874 | cas_match_labels | ef:agent/consensus_match | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v13 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v14 |
| ef:activity/change/20260820T0738569779880000/275247 | properties | ef:agent/opsin_iupac | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v14 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v15 |
| ef:activity/change/20260820T0738569779880000/281746 | properties | ef:agent/rdkit_post_consensus | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v15 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v16 |
| ef:activity/change/20260820T0738569779880000/288578 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v16 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v17 |
| ef:activity/change/20260820T0738569779880000/382181 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v17 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v18 |
| ef:activity/change/20260820T0738569779880000/389550 | properties | ef:agent/normalise_property_values | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v18 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v19 |
| ef:activity/change/20260820T0738569779880000/396743 | types | ef:agent/link_flows_to_their_substance | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v19 | ef:flow/fdda3791-636f-4dd6-8b4e-93996523640f/v20 |