Caprolactam
Everything that changed this flow. Back to the flow
9e8a04b7-b869-41bd-82fb-f5bf542867f3
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 5 catalogue altLabel value(s): 'A 19374' (grade code), 'C 2204' (grade code), 'NSC 117393' (registry code), 'NSC 25536' (registry code), 'NSC 4977' (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=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-60-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93c107845d9c319e: {'105-60-2': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['105-60-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28579']; candidate_pubchem_cids=[7768, 55300695, 86623804]; selected_pubchem_cids=[7768]; 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 |
|---|---|---|---|---|---|
| 7,080 | bootstrap_labels | prefLabel | — | [{"@value":"caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 7,081 | bootstrap_labels | name | caprolactam | — | Purged legacy name field to enforce prefLabel usage |
| 24,517 | bootstrap_labels | synonyms | ["îµ-caprolactam","caprolactam","2h-azepin-2-one, hexahydro-","hexahydro-2h-azepin-2-one","caprolactum","µ-caprolactam"… | [] | Removed legacy synonyms field in favor of structured labels |
| 144,042 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 144,043 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 215,703 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,719 | normalize_name_case | prefLabel | [{"@value":"caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Caprolactam","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,969 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,970 | enrich_references | skos_definition | — | [{"@value":"A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.","@languag… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,971 | enrich_references | references | [] | [{"@id":"gmelin:101802","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['105-60-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28579']; candidate_pubchem_cids=[7768, 55300695, 86623804]; selected_pubchem_cids=[7768]; 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 |
| 250,275 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | rdkit_pre_consensus from 'C1CCC(=O)NCC1'; added: monoisotopic_mass |
| 255,270 | chebi_altlabels | altLabel | [] | [{"@value":"2-ketohexamethyleneimine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,826 | consensus_match | altLabel | [{"@value":"2-ketohexamethyleneimine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"2-ketohexamethyleneimine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=105-60-2; added Common Chemistry CAS names as altLabel: 1-Aza-2-cycloheptanone, 2-Azacycloheptanone, 2-Ketohexamethylenimine, 2-Oxoazepane, 2-Perhydroazepinone, 2<em>H</em>-Azepin-2-one, hexahydro-, 6-Aminohexanoic acid lactam, 6-Hexanelactam, A 19374, AP, AP (lactam), AP-Nylon, C 2204, Hexahydro-1<em>H</em>-azepin-2-one, Hexahydro-2-azepinone, Hexano-6-lactam, Hexanoic acid, 6-amino-, cyclic lactam, Hexanolactam, MeSH ID: D002209, NSC 117393, NSC 25536, NSC 4977, ε-Caprolactam, ω-Caprolactam; object_uuid=fo-93c107845d9c319e |
| 264,827 | consensus_match | cas_match_labels | — | {"105-60-2":"exactMatch"} | group_key=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-60-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93c107845d9c319e: {'105-60-2': 'exactMatch'} |
| 275,420 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Caprolactam' |
| 281,936 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | rdkit_post_consensus from 'O=C1CCCCCN1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,701 | strip_catalogue_altlabels | altLabel | [{"@value":"2-ketohexamethyleneimine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"2-ketohexamethyleneimine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Removed 5 catalogue altLabel value(s): 'A 19374' (grade code), 'C 2204' (grade code), 'NSC 117393' (registry code), 'NSC 25536' (registry code), 'NSC 4977' (registry code) |
| 353,023 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9e8a04b7-b869-… | associations resolved on the elementary layer |
| 389,729 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NO"],… | typed the way the ontology types it |
| 397,005 | 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/20260821T1554374006150000/7080 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v0 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v1 |
| ef:activity/change/20260821T1554374006150000/7081 | name | ef:agent/bootstrap_labels | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v1 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v2 |
| ef:activity/change/20260821T1554374006150000/24517 | synonyms | ef:agent/bootstrap_labels | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v2 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v3 |
| ef:activity/change/20260821T1554374006150000/144042 | context | ef:agent/default_context_mapping | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v3 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v4 |
| ef:activity/change/20260821T1554374006150000/144043 | context_iri | ef:agent/default_context_mapping | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v4 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v5 |
| ef:activity/change/20260821T1554374006150000/215703 | unit_iri | ef:agent/unit_normalization | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v5 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v6 |
| ef:activity/change/20260821T1554374006150000/222719 | prefLabel | ef:agent/normalize_name_case | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v6 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v7 |
| ef:activity/change/20260821T1554374006150000/233969 | properties | ef:agent/enrich_references | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v7 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v8 |
| ef:activity/change/20260821T1554374006150000/233970 | skos_definition | ef:agent/enrich_references | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v8 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v9 |
| ef:activity/change/20260821T1554374006150000/233971 | references | ef:agent/enrich_references | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v9 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v10 |
| ef:activity/change/20260821T1554374006150000/250275 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v10 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v11 |
| ef:activity/change/20260821T1554374006150000/255270 | altLabel | ef:agent/chebi_altlabels | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v11 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v12 |
| ef:activity/change/20260821T1554374006150000/264826 | altLabel | ef:agent/consensus_match | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v12 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v13 |
| ef:activity/change/20260821T1554374006150000/264827 | cas_match_labels | ef:agent/consensus_match | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v13 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v14 |
| ef:activity/change/20260821T1554374006150000/275420 | properties | ef:agent/opsin_iupac | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v14 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v15 |
| ef:activity/change/20260821T1554374006150000/281936 | properties | ef:agent/rdkit_post_consensus | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v15 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v16 |
| ef:activity/change/20260821T1554374006150000/288701 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v16 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v17 |
| ef:activity/change/20260821T1554374006150000/353023 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v17 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v18 |
| ef:activity/change/20260821T1554374006150000/389729 | properties | ef:agent/normalise_property_values | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v18 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v19 |
| ef:activity/change/20260821T1554374006150000/397005 | types | ef:agent/link_flows_to_their_substance | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v19 | ef:flow/9e8a04b7-b869-41bd-82fb-f5bf542867f3/v20 |