1-butyl-1-nitrosourea
Everything that changed this flow. Back to the flow
da206f88-9b6c-4758-bd5c-c2ae13f8f914
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 45639' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-butyl-1-nitrosourea||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'869-01-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f20a694aeb6456b6: {'869-01-2': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['869-01-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[13362, 54024077]; selected_pubchem_cids=[13362]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 14,354 | bootstrap_labels | prefLabel | — | [{"@value":"1-butyl-1-nitrosourea","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 14,355 | bootstrap_labels | name | 1-butyl-1-nitrosourea | — | Purged legacy name field to enforce prefLabel usage |
| 14,356 | bootstrap_labels | synonyms | ["1-Butyl-nitrosourea","1-Nitroso-1-butylurea","AC1L21KO","BNU","BUTYLNITROSOUREA","Butylnitrosoharnstoff","N-Butyl-N-n… | [] | Removed legacy synonyms field in favor of structured labels |
| 179,830 | 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 |
| 179,831 | 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 |
| 218,079 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,773 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,774 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,775 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.343J","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['869-01-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[13362, 54024077]; selected_pubchem_cids=[13362]; 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 |
| 252,229 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | rdkit_pre_consensus from 'CCCCN(C(=O)N)N=O'; added: molecular_mass, monoisotopic_mass |
| 259,027 | consensus_match | altLabel | [] | [{"@value":"<em>N</em>-<em>n</em>-Butyl-<em>N</em>-nitrosourea","@language":"en","source":{"prov:wasGeneratedBy":"conse… | group_key=1-butyl-1-nitrosourea||dimension=Environmental > media=Ground > geography=Unknown; cas=869-01-2; added Common Chemistry CAS names as altLabel: <em>N</em>-<em>n</em>-Butyl-<em>N</em>-nitrosourea, <em>N</em>-Butyl-<em>N</em>-nitrosourea, <em>N</em>-Nitroso-<em>N</em>-<em>n</em>-butylurea, <em>N</em>-Nitroso-<em>N</em>-butylurea, NSC 45639, Urea, 1-butyl-1-nitroso-, Urea, <em>N</em>-butyl-<em>N</em>-nitroso-; object_uuid=fo-f20a694aeb6456b6 |
| 259,028 | consensus_match | cas_match_labels | — | {"869-01-2":"exactMatch"} | group_key=1-butyl-1-nitrosourea||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'869-01-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f20a694aeb6456b6: {'869-01-2': 'exactMatch'} |
| 277,422 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-butyl-1-nitrosourea' |
| 284,103 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | rdkit_post_consensus from 'CCCCN(N=O)C(N)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,188 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>N</em>-<em>n</em>-Butyl-<em>N</em>-nitrosourea","@language":"en","source":{"prov:wasGeneratedBy":"conse… | [{"@value":"N-n-Butyl-N-nitrosourea","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 45639' (registry code) |
| 370,934 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/da206f88-9b6c-… | associations resolved on the elementary layer |
| 391,770 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11N3O2"… | typed the way the ontology types it |
| 399,954 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1812399309960000/14354 | prefLabel | ef:agent/bootstrap_labels | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v0 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v1 |
| ef:activity/change/20260820T1812399309960000/14355 | name | ef:agent/bootstrap_labels | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v1 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v2 |
| ef:activity/change/20260820T1812399309960000/14356 | synonyms | ef:agent/bootstrap_labels | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v2 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v3 |
| ef:activity/change/20260820T1812399309960000/179830 | context | ef:agent/default_context_mapping | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v3 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v4 |
| ef:activity/change/20260820T1812399309960000/179831 | context_iri | ef:agent/default_context_mapping | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v4 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v5 |
| ef:activity/change/20260820T1812399309960000/218079 | unit_iri | ef:agent/unit_normalization | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v5 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v6 |
| ef:activity/change/20260820T1812399309960000/240773 | properties | ef:agent/enrich_references | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v6 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v7 |
| ef:activity/change/20260820T1812399309960000/240774 | skos_definition | ef:agent/enrich_references | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v7 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v8 |
| ef:activity/change/20260820T1812399309960000/240775 | references | ef:agent/enrich_references | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v8 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v9 |
| ef:activity/change/20260820T1812399309960000/252229 | properties | ef:agent/rdkit_pre_consensus | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v9 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v10 |
| ef:activity/change/20260820T1812399309960000/259027 | altLabel | ef:agent/consensus_match | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v10 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v11 |
| ef:activity/change/20260820T1812399309960000/259028 | cas_match_labels | ef:agent/consensus_match | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v11 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v12 |
| ef:activity/change/20260820T1812399309960000/277422 | properties | ef:agent/opsin_iupac | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v12 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v13 |
| ef:activity/change/20260820T1812399309960000/284103 | properties | ef:agent/rdkit_post_consensus | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v13 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v14 |
| ef:activity/change/20260820T1812399309960000/290188 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v14 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v15 |
| ef:activity/change/20260820T1812399309960000/370934 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v15 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v16 |
| ef:activity/change/20260820T1812399309960000/391770 | properties | ef:agent/normalise_property_values | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v16 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v17 |
| ef:activity/change/20260820T1812399309960000/399954 | types | ef:agent/link_flows_to_their_substance | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v17 | ef:flow/da206f88-9b6c-4758-bd5c-c2ae13f8f914/v18 |