Potassium Hexanedioate
Everything that changed this flow. Back to the flow
ce33b466-6b59-4b5b-93ab-d6998e1ae638
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=potassiumhexanedioate||dimension=Environmental > media=Water > water_body=Unknown; cas=19147-16-1; added Common Chemistry CAS names as altLabel: Adipic acid, dipotassium salt, Dipotassium adipate, Hexanedioic acid, dipotassium salt, Hexanedioic acid, potassium salt (1:2), Potassium adipate; object_uuid=fo-0bd07e7f9f0c0489 |
| cas_match_labels | 1 | consensus_match | group_key=potassiumhexanedioate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'19147-16-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0bd07e7f9f0c0489: {'19147-16-1': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['19147-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9794493, 87066815, 87161169]; selected_pubchem_cids=[87161169]; 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 |
|---|---|---|---|---|---|
| 11,093 | bootstrap_labels | prefLabel | — | [{"@value":"potassium hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 11,094 | bootstrap_labels | name | potassium hexanedioate | — | Purged legacy name field to enforce prefLabel usage |
| 11,095 | bootstrap_labels | synonyms | ["organic","dipotassiumadipate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 171,864 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 171,865 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 217,017 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,683 | normalize_name_case | prefLabel | [{"@value":"potassium hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Potassium Hexanedioate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,736 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,737 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,738 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=19147-16-1","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['19147-16-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[9794493, 87066815, 87161169]; selected_pubchem_cids=[87161169]; 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 |
| 251,349 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | rdkit_pre_consensus from 'C(CCC(=O)O)CC(=O)O.[K].[K]'; added: molecular_mass, monoisotopic_mass |
| 270,874 | consensus_match | altLabel | [] | [{"@value":"Adipic acid, dipotassium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=potassiumhexanedioate||dimension=Environmental > media=Water > water_body=Unknown; cas=19147-16-1; added Common Chemistry CAS names as altLabel: Adipic acid, dipotassium salt, Dipotassium adipate, Hexanedioic acid, dipotassium salt, Hexanedioic acid, potassium salt (1:2), Potassium adipate; object_uuid=fo-0bd07e7f9f0c0489 |
| 270,875 | consensus_match | cas_match_labels | — | {"19147-16-1":"exactMatch"} | group_key=potassiumhexanedioate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'19147-16-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-0bd07e7f9f0c0489: {'19147-16-1': 'exactMatch'} |
| 276,530 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Potassium Hexanedioate' |
| 283,144 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | rdkit_post_consensus from 'O=C([O-])CCCCC(=O)[O-].[K+].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,949 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H10K2O4"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 366,956 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ce33b466-6b59-… | associations resolved on the elementary layer |
| 398,689 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1554374006150000/11093 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v0 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v1 |
| ef:activity/change/20260821T1554374006150000/11094 | name | ef:agent/bootstrap_labels | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v1 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v2 |
| ef:activity/change/20260821T1554374006150000/11095 | synonyms | ef:agent/bootstrap_labels | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v2 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v3 |
| ef:activity/change/20260821T1554374006150000/171864 | context | ef:agent/default_context_mapping | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v3 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v4 |
| ef:activity/change/20260821T1554374006150000/171865 | context_iri | ef:agent/default_context_mapping | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v4 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v5 |
| ef:activity/change/20260821T1554374006150000/217017 | unit_iri | ef:agent/unit_normalization | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v5 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v6 |
| ef:activity/change/20260821T1554374006150000/223683 | prefLabel | ef:agent/normalize_name_case | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v6 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v7 |
| ef:activity/change/20260821T1554374006150000/237736 | properties | ef:agent/enrich_references | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v7 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v8 |
| ef:activity/change/20260821T1554374006150000/237737 | skos_definition | ef:agent/enrich_references | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v8 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v9 |
| ef:activity/change/20260821T1554374006150000/237738 | references | ef:agent/enrich_references | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v9 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v10 |
| ef:activity/change/20260821T1554374006150000/251349 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v10 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v11 |
| ef:activity/change/20260821T1554374006150000/270874 | altLabel | ef:agent/consensus_match | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v11 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v12 |
| ef:activity/change/20260821T1554374006150000/270875 | cas_match_labels | ef:agent/consensus_match | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v12 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v13 |
| ef:activity/change/20260821T1554374006150000/276530 | properties | ef:agent/opsin_iupac | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v13 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v14 |
| ef:activity/change/20260821T1554374006150000/283144 | properties | ef:agent/rdkit_post_consensus | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v14 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v15 |
| ef:activity/change/20260821T1554374006150000/286949 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v15 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v16 |
| ef:activity/change/20260821T1554374006150000/366956 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v16 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v17 |
| ef:activity/change/20260821T1554374006150000/398689 | types | ef:agent/link_flows_to_their_substance | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v17 | ef:flow/ce33b466-6b59-4b5b-93ab-d6998e1ae638/v18 |