N,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)
Everything that changed this flow. Back to the flow
0d654aeb-b12a-4ada-989e-89e1915c0d01
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): 'C 20' (grade 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=n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'5888-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-59ea191fa300d772: {'5888-87-9': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5888-87-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[79991, 220580]; selected_pubchem_cids=[79991]; 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 |
|---|---|---|---|---|---|
| 2,597 | bootstrap_labels | prefLabel | — | [{"@value":"n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Bootstrapped prefLabel from legacy name field |
| 2,598 | bootstrap_labels | name | n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide) | — | Purged legacy name field to enforce prefLabel usage |
| 2,599 | bootstrap_labels | synonyms | ["n,n'","-hexane-1,6-diylbis(hexahydro-2-oxo-1h-azepine-1-carboxamide)","2-oxo-n-{6-[(2-oxoazepane-1-carbonyl)amino… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,358 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 44,359 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 214,205 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,686 | normalize_name_case | prefLabel | [{"@value":"n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | [{"@value":"N,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)","@language":"en","source":{"prov:wasGeneratedBy":"boot… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,675 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,676 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,677 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.123A","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['5888-87-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[79991, 220580]; selected_pubchem_cids=[79991]; 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 |
| 249,036 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | rdkit_pre_consensus from 'C1CCC(=O)N(CC1)C(=O)NCCCCCCNC(=O)N2CCCCCC2=O'; added: molecular_mass, monoisotopic_mass |
| 269,142 | consensus_match | altLabel | [] | [{"@value":"1,6-Hexamethylene bis carbamide caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)||dimension=Environmental > media=Water > water_body=Ocean; cas=5888-87-9; added Common Chemistry CAS names as altLabel: 1,6-Hexamethylene bis carbamide caprolactam, 1,6-Hexamethylenebis(carbamidocaprolactam), 1<em>H</em>-Azepine-1-carboxamide, <em>N</em>,<em>N</em>′-1,6-hexanediylbis[hexahydro-2-oxo-, 1<em>H</em>-Azepine-1-carboxamide, <em>N</em>,<em>N</em>′-hexamethylenebis[hexahydro-2-oxo-, <em>N</em>,<em>N</em>′-(Hexamethylenedicarbamoyl)dicaprolactam, <em>N</em>,<em>N</em>′-1,6-Hexanediylbis[hexahydro-2-oxo-1<em>H</em>-azepine-1-carboxamide], Bruggolen C 20, Bruggolen C 20P, C 20, Hexamethylene-1,6-dicarbamoylcaprolactam, Hexamethylenebis(carbamoylcaprolactam), ε-Caprolactam-blocked HDI, ε-Caprolactam-blocked HMDI; object_uuid=fo-59ea191fa300d772 |
| 269,143 | consensus_match | cas_match_labels | — | {"5888-87-9":"exactMatch"} | group_key=n,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'5888-87-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-59ea191fa300d772: {'5888-87-9': 'exactMatch'} |
| 274,156 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1H-Azepine-1-carboxamide, N,N′-1,6-hexanediylbis[hexahydro-2-oxo-' |
| 280,575 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | rdkit_post_consensus from 'O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,765 | strip_catalogue_altlabels | altLabel | [{"@value":"1,6-Hexamethylene bis carbamide caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"1,6-Hexamethylene bis carbamide caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 1 catalogue altLabel value(s): 'C 20' (grade code) |
| 303,205 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d654aeb-b12a-… | associations resolved on the elementary layer |
| 388,448 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C20H34N4O4… | typed the way the ontology types it |
| 395,190 | 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/20260822T0600486828500000/2597 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v0 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v1 |
| ef:activity/change/20260822T0600486828500000/2598 | name | ef:agent/bootstrap_labels | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v1 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v2 |
| ef:activity/change/20260822T0600486828500000/2599 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v2 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v3 |
| ef:activity/change/20260822T0600486828500000/44358 | context | ef:agent/default_context_mapping | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v3 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v4 |
| ef:activity/change/20260822T0600486828500000/44359 | context_iri | ef:agent/default_context_mapping | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v4 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v5 |
| ef:activity/change/20260822T0600486828500000/214205 | unit_iri | ef:agent/unit_normalization | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v5 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v6 |
| ef:activity/change/20260822T0600486828500000/221686 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v6 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v7 |
| ef:activity/change/20260822T0600486828500000/229675 | properties | ef:agent/enrich_references | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v7 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v8 |
| ef:activity/change/20260822T0600486828500000/229676 | skos_definition | ef:agent/enrich_references | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v8 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v9 |
| ef:activity/change/20260822T0600486828500000/229677 | references | ef:agent/enrich_references | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v9 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v10 |
| ef:activity/change/20260822T0600486828500000/249036 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v10 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v11 |
| ef:activity/change/20260822T0600486828500000/269142 | altLabel | ef:agent/consensus_match | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v11 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v12 |
| ef:activity/change/20260822T0600486828500000/269143 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v12 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v13 |
| ef:activity/change/20260822T0600486828500000/274156 | properties | ef:agent/opsin_iupac | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v13 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v14 |
| ef:activity/change/20260822T0600486828500000/280575 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v14 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v15 |
| ef:activity/change/20260822T0600486828500000/287765 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v15 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v16 |
| ef:activity/change/20260822T0600486828500000/303205 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v16 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v17 |
| ef:activity/change/20260822T0600486828500000/388448 | properties | ef:agent/normalise_property_values | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v17 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v18 |
| ef:activity/change/20260822T0600486828500000/395190 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v18 | ef:flow/0d654aeb-b12a-4ada-989e-89e1915c0d01/v19 |