1,1,1,3,3-pentachlorobutane
Everything that changed this flow. Back to the flow
877bb414-6f38-49b9-ae20-335fd2e4cc4b
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): 'HCC 360' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=1,1,1,3,3-pentachlorobutane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'21981-33-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e9df6a36b96b74f0: {'21981-33-9': '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 air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['21981-33-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[89123]; selected_pubchem_cids=[89123]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,606 | bootstrap_labels | prefLabel | — | [{"@value":"1,1,1,3,3-pentachlorobutane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 6,607 | bootstrap_labels | name | 1,1,1,3,3-pentachlorobutane | — | Purged legacy name field to enforce prefLabel usage |
| 6,608 | bootstrap_labels | synonyms | ["organic","1,1,1,3,3-pentachlorobutane"] | [] | Removed legacy synonyms field in favor of structured labels |
| 130,336 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 130,337 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 215,551 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,527 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,528 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,529 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.975D","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['21981-33-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[89123]; selected_pubchem_cids=[89123]; 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 |
| 250,151 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | rdkit_pre_consensus from 'CC(CC(Cl)(Cl)Cl)(Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 258,118 | consensus_match | altLabel | [] | [{"@value":"Butane, 1,1,1,3,3-pentachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=1,1,1,3,3-pentachlorobutane||dimension=Environmental > media=Air > strata=Long-term; cas=21981-33-9; added Common Chemistry CAS names as altLabel: Butane, 1,1,1,3,3-pentachloro-, HCC 360; object_uuid=fo-e9df6a36b96b74f0 |
| 258,119 | consensus_match | cas_match_labels | — | {"21981-33-9":"exactMatch"} | group_key=1,1,1,3,3-pentachlorobutane||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'21981-33-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e9df6a36b96b74f0: {'21981-33-9': 'exactMatch'} |
| 275,304 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1,1,3,3-pentachlorobutane' |
| 281,808 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | rdkit_post_consensus from 'CC(Cl)(Cl)CC(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,624 | strip_catalogue_altlabels | altLabel | [{"@value":"Butane, 1,1,1,3,3-pentachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | [{"@value":"Butane, 1,1,1,3,3-pentachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | Removed 1 catalogue altLabel value(s): 'HCC 360' (grade code) |
| 346,190 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/877bb414-6f38-… | associations resolved on the elementary layer |
| 389,607 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5Cl5"],… | typed the way the ontology types it |
| 396,820 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260820T1555490862250000/6606 | prefLabel | ef:agent/bootstrap_labels | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v0 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v1 |
| ef:activity/change/20260820T1555490862250000/6607 | name | ef:agent/bootstrap_labels | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v1 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v2 |
| ef:activity/change/20260820T1555490862250000/6608 | synonyms | ef:agent/bootstrap_labels | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v2 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v3 |
| ef:activity/change/20260820T1555490862250000/130336 | context | ef:agent/default_context_mapping | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v3 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v4 |
| ef:activity/change/20260820T1555490862250000/130337 | context_iri | ef:agent/default_context_mapping | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v4 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v5 |
| ef:activity/change/20260820T1555490862250000/215551 | unit_iri | ef:agent/unit_normalization | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v5 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v6 |
| ef:activity/change/20260820T1555490862250000/233527 | properties | ef:agent/enrich_references | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v6 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v7 |
| ef:activity/change/20260820T1555490862250000/233528 | skos_definition | ef:agent/enrich_references | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v7 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v8 |
| ef:activity/change/20260820T1555490862250000/233529 | references | ef:agent/enrich_references | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v8 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v9 |
| ef:activity/change/20260820T1555490862250000/250151 | properties | ef:agent/rdkit_pre_consensus | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v9 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v10 |
| ef:activity/change/20260820T1555490862250000/258118 | altLabel | ef:agent/consensus_match | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v10 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v11 |
| ef:activity/change/20260820T1555490862250000/258119 | cas_match_labels | ef:agent/consensus_match | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v11 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v12 |
| ef:activity/change/20260820T1555490862250000/275304 | properties | ef:agent/opsin_iupac | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v12 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v13 |
| ef:activity/change/20260820T1555490862250000/281808 | properties | ef:agent/rdkit_post_consensus | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v13 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v14 |
| ef:activity/change/20260820T1555490862250000/288624 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v14 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v15 |
| ef:activity/change/20260820T1555490862250000/346190 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v15 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v16 |
| ef:activity/change/20260820T1555490862250000/389607 | properties | ef:agent/normalise_property_values | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v16 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v17 |
| ef:activity/change/20260820T1555490862250000/396820 | types | ef:agent/link_flows_to_their_substance | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v17 | ef:flow/877bb414-6f38-49b9-ae20-335fd2e4cc4b/v18 |