Dipotassium Dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate
Everything that changed this flow. Back to the flow
2334d6f2-3885-4f24-8210-baf53b52756a
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'EDTA-2K' (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=dipotassiumdihydrogen2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'2001-94-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-10bbd4946a804147: {'2001-94-7': '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 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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2001-94-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[16156, 44630025, 87063472, 163323879]; selected_pubchem_cids=[87063472]; 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 |
|---|---|---|---|---|---|
| 4,904 | bootstrap_labels | prefLabel | — | [{"@value":"dipotassium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate","@language":"en","source":{"pr… | Bootstrapped prefLabel from legacy name field |
| 4,905 | bootstrap_labels | name | dipotassium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,906 | bootstrap_labels | synonyms | ["organic","dipotassiumdihydrogenethylenediaminetetraacetate","bdk2edta","k2edta"] | [] | Removed legacy synonyms field in favor of structured labels |
| 60,044 | 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 |
| 60,045 | 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 |
| 214,977 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,226 | normalize_name_case | prefLabel | [{"@value":"dipotassium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate","@language":"en","source":{"pr… | [{"@value":"Dipotassium Dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate","@language":"en","source":{"pr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,891 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,892 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,893 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2001-94-7","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2001-94-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[16156, 44630025, 87063472, 163323879]; selected_pubchem_cids=[87063472]; 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 |
| 249,669 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | rdkit_pre_consensus from 'C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K]'; added: molecular_mass, monoisotopic_mass |
| 266,274 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt","@language":"en","source":{"prov:wasGeneratedBy":… | group_key=dipotassiumdihydrogen2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate||dimension=Environmental > media=Air > strata=Long-term; cas=2001-94-7; added Common Chemistry CAS names as altLabel: Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt, Chelaplex II, Dipotassium EDTA, Dipotassium edetate, Dipotassium ethylenediaminetetraacetate, EDTA dipotassium salt, EDTA-2K, Edetate Dipotassium, Ethylenediaminetetraacetic acid dipotassium salt, Glycine, <em>N</em>,<em>N</em>′-1,2-ethanediylbis[<em>N</em>-(carboxymethyl)-, dipotassium salt, Glycine, <em>N</em>,<em>N</em>′-1,2-ethanediylbis[<em>N</em>-(carboxymethyl)-, potassium salt (1:2), Potassium EDTA; object_uuid=fo-10bbd4946a804147 |
| 266,275 | consensus_match | cas_match_labels | — | {"2001-94-7":"exactMatch"} | group_key=dipotassiumdihydrogen2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'2001-94-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-10bbd4946a804147: {'2001-94-7': 'exactMatch'} |
| 274,804 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Dipotassium Dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate' |
| 281,274 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H16K2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14K2N2… | rdkit_post_consensus from 'O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[K+].[K+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,817 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14K2N2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H14K2N2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 288,268 | strip_catalogue_altlabels | altLabel | [{"@value":"Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt","@language":"en","source":{"prov:wasGeneratedBy":… | [{"@value":"Acetic acid, (ethylenedinitrilo)tetra-, dipotassium salt","@language":"en","source":{"prov:wasGeneratedBy":… | Removed 1 catalogue altLabel value(s): 'EDTA-2K' (grade code) |
| 311,041 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2334d6f2-3885-… | associations resolved on the elementary layer |
| 396,130 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/4904 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v0 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v1 |
| ef:activity/change/20260822T0600486828500000/4905 | name | ef:agent/bootstrap_labels | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v1 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v2 |
| ef:activity/change/20260822T0600486828500000/4906 | synonyms | ef:agent/bootstrap_labels | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v2 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v3 |
| ef:activity/change/20260822T0600486828500000/60044 | context | ef:agent/default_context_mapping | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v3 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v4 |
| ef:activity/change/20260822T0600486828500000/60045 | context_iri | ef:agent/default_context_mapping | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v4 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v5 |
| ef:activity/change/20260822T0600486828500000/214977 | unit_iri | ef:agent/unit_normalization | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v5 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v6 |
| ef:activity/change/20260822T0600486828500000/222226 | prefLabel | ef:agent/normalize_name_case | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v6 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v7 |
| ef:activity/change/20260822T0600486828500000/231891 | properties | ef:agent/enrich_references | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v7 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v8 |
| ef:activity/change/20260822T0600486828500000/231892 | skos_definition | ef:agent/enrich_references | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v8 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v9 |
| ef:activity/change/20260822T0600486828500000/231893 | references | ef:agent/enrich_references | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v9 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v10 |
| ef:activity/change/20260822T0600486828500000/249669 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v10 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v11 |
| ef:activity/change/20260822T0600486828500000/266274 | altLabel | ef:agent/consensus_match | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v11 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v12 |
| ef:activity/change/20260822T0600486828500000/266275 | cas_match_labels | ef:agent/consensus_match | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v12 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v13 |
| ef:activity/change/20260822T0600486828500000/274804 | properties | ef:agent/opsin_iupac | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v13 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v14 |
| ef:activity/change/20260822T0600486828500000/281274 | properties | ef:agent/rdkit_post_consensus | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v14 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v15 |
| ef:activity/change/20260822T0600486828500000/286817 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v15 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v16 |
| ef:activity/change/20260822T0600486828500000/288268 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v16 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v17 |
| ef:activity/change/20260822T0600486828500000/311041 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v17 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v18 |
| ef:activity/change/20260822T0600486828500000/396130 | types | ef:agent/link_flows_to_their_substance | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v18 | ef:flow/2334d6f2-3885-4f24-8210-baf53b52756a/v19 |