4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone
Everything that changed this flow. Back to the flow
87c365f9-cea9-47b9-8f71-83ed4f0fbbcc
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'64091-91-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2378e274b9160b31: {'64091-91-4': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['64091-91-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32692']; candidate_pubchem_cids=[47289, 14334560, 18755716, 163199329]; selected_pubchem_cids=[47289]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,765 | bootstrap_labels | prefLabel | — | [{"@value":"4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap… | Bootstrapped prefLabel from legacy name field |
| 16,766 | bootstrap_labels | name | 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone | — | Purged legacy name field to enforce prefLabel usage |
| 16,767 | bootstrap_labels | synonyms | ["1-Butanone, 4-(methylnitrosamino)-1-(3-pyridyl)-","1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-","3-(N-methyl-… | [] | Removed legacy synonyms field in favor of structured labels |
| 130,484 | 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) |
| 130,485 | 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) |
| 218,838 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,935 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,936 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,937 | enrich_references | references | [] | [{"@id":"beilstein:3548355","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['64091-91-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32692']; candidate_pubchem_cids=[47289, 14334560, 18755716, 163199329]; selected_pubchem_cids=[47289]; 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 |
| 252,855 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | rdkit_pre_consensus from 'CN(CCCC(=O)C1=CN=CC=C1)N=O'; added: monoisotopic_mass |
| 256,594 | chebi_altlabels | altLabel | [] | [{"@value":"4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,488 | consensus_match | altLabel | [{"@value":"4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | [{"@value":"4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | group_key=4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone||dimension=Environmental > media=Water > water_body=Surface water; cas=64091-91-4; added Common Chemistry CAS names as altLabel: 1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, 4-(<em>N</em>-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone, 4-(Methyl-<em>N</em>-nitrosamino)-1-(3-pyridyl)-1-butanone, 4-(Methylintrosamino)-1-(3-pyridyl)-1-butanone, 4-(Methylnitrosamine)-1-(3-pyridyl)-1-butanone, 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1-butanone, 4-(Methylnitrosoamino)-1-(3-pyridyl)-1-butanone; object_uuid=fo-2378e274b9160b31 |
| 262,489 | consensus_match | cas_match_labels | — | {"64091-91-4":"exactMatch"} | group_key=4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'64091-91-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2378e274b9160b31: {'64091-91-4': 'exactMatch'} |
| 278,062 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one' |
| 284,792 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | rdkit_post_consensus from 'CN(CCCC(=O)c1cccnc1)N=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,895 | dedupe_altlabels | altLabel | [{"@value":"4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | [{"@value":"4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone","@language":"en","source":{"prov:wasGeneratedBy":"cheb… | Deduplicated altLabel values and removed entries matching prefLabel |
| 346,242 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/87c365f9-cea9-… | associations resolved on the elementary layer |
| 392,415 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H13N3O2… | typed the way the ontology types it |
| 400,872 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1302361922970000/16765 | prefLabel | ef:agent/bootstrap_labels | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v0 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v1 |
| ef:activity/change/20260821T1302361922970000/16766 | name | ef:agent/bootstrap_labels | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v1 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v2 |
| ef:activity/change/20260821T1302361922970000/16767 | synonyms | ef:agent/bootstrap_labels | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v2 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v3 |
| ef:activity/change/20260821T1302361922970000/130484 | context | ef:agent/default_context_mapping | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v3 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v4 |
| ef:activity/change/20260821T1302361922970000/130485 | context_iri | ef:agent/default_context_mapping | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v4 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v5 |
| ef:activity/change/20260821T1302361922970000/218838 | unit_iri | ef:agent/unit_normalization | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v5 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v6 |
| ef:activity/change/20260821T1302361922970000/242935 | properties | ef:agent/enrich_references | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v6 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v7 |
| ef:activity/change/20260821T1302361922970000/242936 | skos_definition | ef:agent/enrich_references | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v7 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v8 |
| ef:activity/change/20260821T1302361922970000/242937 | references | ef:agent/enrich_references | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v8 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v9 |
| ef:activity/change/20260821T1302361922970000/252855 | properties | ef:agent/rdkit_pre_consensus | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v9 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v10 |
| ef:activity/change/20260821T1302361922970000/256594 | altLabel | ef:agent/chebi_altlabels | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v10 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v11 |
| ef:activity/change/20260821T1302361922970000/262488 | altLabel | ef:agent/consensus_match | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v11 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v12 |
| ef:activity/change/20260821T1302361922970000/262489 | cas_match_labels | ef:agent/consensus_match | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v12 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v13 |
| ef:activity/change/20260821T1302361922970000/278062 | properties | ef:agent/opsin_iupac | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v13 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v14 |
| ef:activity/change/20260821T1302361922970000/284792 | properties | ef:agent/rdkit_post_consensus | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v14 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v15 |
| ef:activity/change/20260821T1302361922970000/292895 | altLabel | ef:agent/dedupe_altlabels | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v15 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v16 |
| ef:activity/change/20260821T1302361922970000/346242 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v16 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v17 |
| ef:activity/change/20260821T1302361922970000/392415 | properties | ef:agent/normalise_property_values | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v17 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v18 |
| ef:activity/change/20260821T1302361922970000/400872 | types | ef:agent/link_flows_to_their_substance | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v18 | ef:flow/87c365f9-cea9-47b9-8f71-83ed4f0fbbcc/v19 |