N-nitrosodiethanolamine
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-ae09-0050c2490048
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=n-nitrosodiethanolamine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1116-54-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2884b0b11735b820: {'1116-54-7': '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=['1116-54-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82357']; candidate_pubchem_cids=[14223, 60150292, 91872666]; selected_pubchem_cids=[14223]; 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 |
|---|---|---|---|---|---|
| 15,542 | bootstrap_labels | prefLabel | — | [{"@value":"n-nitrosodiethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 15,543 | bootstrap_labels | name | n-nitrosodiethanolamine | — | Purged legacy name field to enforce prefLabel usage |
| 15,544 | bootstrap_labels | synonyms | ["2,2'-(Nitrosoimino)bisethanol","2,2'-(nitrosoimino)diethanol","2,2'-Iminodi-N-nitrosoethanol","2,2'-dihydroxy-N-nitro… | [] | Removed legacy synonyms field in favor of structured labels |
| 210,260 | 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 |
| 210,261 | 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 |
| 218,452 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,671 | normalize_name_case | prefLabel | [{"@value":"n-nitrosodiethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"N-nitrosodiethanolamine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,830 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 241,831 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,832 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.773F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1116-54-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82357']; candidate_pubchem_cids=[14223, 60150292, 91872666]; selected_pubchem_cids=[14223]; 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 |
| 252,541 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | rdkit_pre_consensus from 'C(CO)N(CCO)N=O'; added: monoisotopic_mass |
| 269,621 | consensus_match | altLabel | [] | [{"@value":"2,2′-(Nitrosoimino)bis[ethanol]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=n-nitrosodiethanolamine||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=1116-54-7; added Common Chemistry CAS names as altLabel: 2,2′-(Nitrosoimino)bis[ethanol], 2-[(2-Hydroxyethyl)(nitroso)amino]ethan-1-ol, <em>N</em>,<em>N</em>-Bis(2-hydroxyethyl)nitrous amide, <em>N</em>,<em>N</em>-Diethanolnitrosamine, <em>N</em>-Nitrosobis(2-hydroxyethyl)amine, Diethanolnitrosamine, Ethanol, 2,2′-(nitrosoimino)bis-, Ethanol, 2,2′-nitrosiminodi-, NDELA, Nitrosodiethanolamine; object_uuid=fo-2884b0b11735b820 |
| 269,622 | consensus_match | cas_match_labels | — | {"1116-54-7":"exactMatch"} | group_key=n-nitrosodiethanolamine||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1116-54-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2884b0b11735b820: {'1116-54-7': 'exactMatch'} |
| 277,746 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'N-nitrosodiethanolamine' |
| 284,445 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | rdkit_post_consensus from 'O=NN(CCO)CCO'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,827 | dedupe_altlabels | altLabel | [{"@value":"2,2′-(Nitrosoimino)bis[ethanol]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"2,2′-(Nitrosoimino)bis[ethanol]","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Deduplicated altLabel values and removed entries matching prefLabel |
| 386,172 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 392,099 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10N2O3"… | typed the way the ontology types it |
| 400,409 | 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/20260822T0600486828500000/15542 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/15543 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/15544 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/210260 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/210261 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/218452 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/224671 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/241830 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/241831 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/241832 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/252541 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/269621 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/269622 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/277746 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/284445 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/292827 | altLabel | ef:agent/dedupe_altlabels | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/386172 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/392099 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/400409 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-ae09-0050c2490048/v19 |