Nitrogen Mustard N-oxide
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9640-0050c2490048
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 141949' (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=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'126-85-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc84f133f2cb0276: {'126-85-2': '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 (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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['126-85-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82354']; candidate_pubchem_cids=[9335]; selected_pubchem_cids=[9335]; 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 |
|---|---|---|---|---|---|
| 3,319 | bootstrap_labels | prefLabel | — | [{"@value":"nitrogen mustard n-oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 3,320 | bootstrap_labels | name | nitrogen mustard n-oxide | — | Purged legacy name field to enforce prefLabel usage |
| 3,321 | bootstrap_labels | synonyms | [".Beta.,.beta.'-Dichlorodiethyl-N-methylamine","1, 5-Dichloro-3-methyl-3-azapentane hydrochloride","2,2'-Dichloro-N-me… | [] | Removed legacy synonyms field in favor of structured labels |
| 35,156 | 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) |
| 35,157 | 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) |
| 214,447 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,851 | normalize_name_case | prefLabel | [{"@value":"nitrogen mustard n-oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Nitrogen Mustard N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,375 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,376 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,377 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.510E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['126-85-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82354']; candidate_pubchem_cids=[9335]; selected_pubchem_cids=[9335]; 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 |
| 249,242 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | rdkit_pre_consensus from 'CN(=O)(CCCl)CCCl'; added: monoisotopic_mass |
| 269,909 | consensus_match | altLabel | [] | [{"@value":"2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide","@language":"en","source":{"prov:wasGenerated… | group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=126-85-2; added Common Chemistry CAS names as altLabel: 2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide, 2-Chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methylethanamine oxide, Diethylamine, 2,2′-dichloro-<em>N</em>-methyl-, <em>N</em>-oxide, Ethanamine, 2-chloro-<em>N</em>-(2-chloroethyl)-<em>N</em>-methyl-, <em>N</em>-oxide, HN<sub>2</sub> Oxide mustard, MBAO, Mechlorethamine oxide, Methylbis(β-chloroethyl)amine <em>N</em>-oxide, NMO, NSC 141949, Nitrogen mustard oxide, Oxy-NH2; object_uuid=fo-fc84f133f2cb0276 |
| 269,910 | consensus_match | cas_match_labels | — | {"126-85-2":"exactMatch"} | group_key=nitrogenmustardn-oxide||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'pubchem']; cas_sources={'126-85-2': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fc84f133f2cb0276: {'126-85-2': 'exactMatch'} |
| 274,360 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Chloro-N-(2-chloroethyl)-N-methylethanamine oxide' |
| 280,794 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | rdkit_post_consensus from 'C[N+]([O-])(CCCl)CCCl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,919 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2′-Dichloro-<em>N</em>-methyldiethylamine-<em>N</em>-oxide","@language":"en","source":{"prov:wasGenerated… | [{"@value":"2,2′-Dichloro-N-methyldiethylamine-N-oxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Removed 1 catalogue altLabel value(s): 'NSC 141949' (registry code) |
| 298,608 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 388,657 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H11Cl2NO… | typed the way the ontology types it |
| 395,481 | 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/20260822T0600486828500000/3319 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/3320 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/3321 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/35156 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/35157 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/214447 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/221851 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/230375 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/230376 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/230377 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/249242 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/269909 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/269910 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/274360 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/280794 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/287919 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/298608 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/388657 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/395481 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-9640-0050c2490048/v19 |