Nitrosodibutylamine
Everything that changed this flow. Back to the flow
172b00fc-6556-11dd-ad8b-0800200c9a66
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 6830' (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=nitrosodibutylamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'924-16-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c483cc0b9569d8c9: {'924-16-3': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['924-16-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82356']; candidate_pubchem_cids=[13542, 239274]; selected_pubchem_cids=[13542]; 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 |
|---|---|---|---|---|---|
| 9,111 | bootstrap_labels | prefLabel | — | [{"@value":"nitrosodibutylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 9,112 | bootstrap_labels | name | nitrosodibutylamine | — | Purged legacy name field to enforce prefLabel usage |
| 9,113 | bootstrap_labels | synonyms | ["1-Butanamine, N-butyl-N-nitroso-","AC1L21XX","Butylamine, N-nitrosodi-","DBNA","Di-N-butylnitrosamin","Di-N-butylnitr… | [] | Removed legacy synonyms field in favor of structured labels |
| 51,828 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 51,829 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 216,370 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,245 | normalize_name_case | prefLabel | [{"@value":"nitrosodibutylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Nitrosodibutylamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,902 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 235,903 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,904 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.346D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['924-16-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82356']; candidate_pubchem_cids=[13542, 239274]; selected_pubchem_cids=[13542]; 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 |
| 250,823 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | rdkit_pre_consensus from 'CCCCN(CCCC)N=O'; added: monoisotopic_mass |
| 255,703 | chebi_altlabels | altLabel | [] | [{"@value":"N,N-Dibutylnitrosoamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,923 | consensus_match | altLabel | [{"@value":"N,N-Dibutylnitrosoamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"N,N-Dibutylnitrosoamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=nitrosodibutylamine||dimension=Environmental > media=Water > water_body=Long-term; cas=924-16-3; added Common Chemistry CAS names as altLabel: 1-Butanamine, <em>N</em>-butyl-<em>N</em>-nitroso-, <em>N</em>,<em>N</em>-Di-<em>n</em>-butylnitrosamine, <em>N</em>,<em>N</em>-Dibutylnitrosamine, <em>N</em>,<em>N</em>-Dibutylnitrous amide, <em>N</em>-Butyl-<em>N</em>-nitroso-1-butanamine, <em>N</em>-Nitroso-<em>N</em>-di-<em>n</em>-butylamine, <em>N</em>-Nitrosodi-<em>n</em>-butylamine, <em>N</em>-Nitrosodibutylamine, Di-<em>n</em>-butylnitrosamine, Dibutylamine, <em>N</em>-nitroso-, Dibutylnitrosamine, NDBA, NSC 6830; object_uuid=fo-c483cc0b9569d8c9 |
| 269,924 | consensus_match | cas_match_labels | — | {"924-16-3":"exactMatch"} | group_key=nitrosodibutylamine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'924-16-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c483cc0b9569d8c9: {'924-16-3': 'exactMatch'} |
| 276,009 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nitrosodibutylamine' |
| 282,578 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | rdkit_post_consensus from 'CCCCN(CCCC)N=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,170 | strip_catalogue_altlabels | altLabel | [{"@value":"N,N-Dibutylnitrosoamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"N,N-Dibutylnitrosoamine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 6830' (registry code) |
| 306,941 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/172b00fc-6556-… | associations resolved on the elementary layer |
| 390,356 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H18N2O"]… | typed the way the ontology types it |
| 397,929 | 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/20260822T0600486828500000/9111 | prefLabel | ef:agent/bootstrap_labels | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/9112 | name | ef:agent/bootstrap_labels | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/9113 | synonyms | ef:agent/bootstrap_labels | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/51828 | context | ef:agent/default_context_mapping | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/51829 | context_iri | ef:agent/default_context_mapping | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/216370 | unit_iri | ef:agent/unit_normalization | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/223245 | prefLabel | ef:agent/normalize_name_case | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/235902 | properties | ef:agent/enrich_references | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/235903 | skos_definition | ef:agent/enrich_references | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/235904 | references | ef:agent/enrich_references | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/250823 | properties | ef:agent/rdkit_pre_consensus | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/255703 | altLabel | ef:agent/chebi_altlabels | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/269923 | altLabel | ef:agent/consensus_match | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/269924 | cas_match_labels | ef:agent/consensus_match | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/276009 | properties | ef:agent/opsin_iupac | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/282578 | properties | ef:agent/rdkit_post_consensus | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/289170 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/306941 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/390356 | properties | ef:agent/normalise_property_values | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/397929 | types | ef:agent/link_flows_to_their_substance | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/172b00fc-6556-11dd-ad8b-0800200c9a66/v20 |