X Sodium (8-x) Hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n
Everything that changed this flow. Back to the flow
73e5e171-de76-402d-b4e5-77c95334859a
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): 'Briquest 422' (trade name) |
| 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=xsodium(8-x)hydrogen{ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'22036-77-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-cce41470fd999ea2: {'22036-77-7': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['22036-77-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[15025, 92043361, 162344864, 170905212]; selected_pubchem_cids=[162344864]; 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 |
|---|---|---|---|---|---|
| 1,850 | bootstrap_labels | prefLabel | — | [{"@value":"x sodium (8-x) hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n","@language":"… | Bootstrapped prefLabel from legacy name field |
| 1,851 | bootstrap_labels | name | x sodium (8-x) hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n | — | Purged legacy name field to enforce prefLabel usage |
| 1,852 | bootstrap_labels | synonyms | ["organic","[ethylenebis[nitrilobis(methylene)]]tetrakisphosphonicacid,sodiumsalt","aquacidâ®1095ex","cublene3016","cub… | [] | Removed legacy synonyms field in favor of structured labels |
| 118,812 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 118,813 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 213,955 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,523 | normalize_name_case | prefLabel | [{"@value":"x sodium (8-x) hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n","@language":"… | [{"@value":"X Sodium (8-x) Hydrogen {ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n","@language":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,959 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,960 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,961 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.040.660","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['22036-77-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[15025, 92043361, 162344864, 170905212]; selected_pubchem_cids=[162344864]; 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 |
| 248,828 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | rdkit_pre_consensus from 'C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 273,266 | consensus_match | altLabel | [] | [{"@value":"Briquest 422","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | group_key=xsodium(8-x)hydrogen{ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n||dimension=Environmental > media=Water > water_body=Unknown; cas=22036-77-7; added Common Chemistry CAS names as altLabel: Briquest 422, Ethylenediaminetetrakis(methylenephosphonic acid) sodium salt, Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt (1:?), Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, sodium salt, Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt, Sequion 30Na30, Sequion D 30, Sodium (ethylenediamine)tetramethylenephosphonate, Sodium EDTMPA, [Ethylenebis[nitrilobis(methylene)]]tetrakisphosphonic acid sodium salt; object_uuid=fo-cce41470fd999ea2 |
| 273,267 | consensus_match | cas_match_labels | — | {"22036-77-7":"exactMatch"} | group_key=xsodium(8-x)hydrogen{ethane-1,2-diylbis[nitrilobis(methylene)]}tetrakis(phosphonate)/n/n||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'22036-77-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-cce41470fd999ea2: {'22036-77-7': 'exactMatch'} |
| 273,949 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphonic acid, [ethylenebis(nitrilodimethylene)]tetra-, sodium salt' |
| 280,349 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H20N2NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2Na8… | rdkit_post_consensus from 'O=P([O-])([O-])CCN(CCN(CCP(=O)([O-])[O-])P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,747 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2Na8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2Na8… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,622 | strip_catalogue_altlabels | altLabel | [{"@value":"Briquest 422","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | [{"@value":"Ethylenediaminetetrakis(methylenephosphonic acid) sodium salt","@language":"en","source":{"prov:wasGenerate… | Removed 1 catalogue altLabel value(s): 'Briquest 422' (trade name) |
| 340,404 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/73e5e171-de76-… | associations resolved on the elementary layer |
| 394,891 | 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/20260821T1302361922970000/1850 | prefLabel | ef:agent/bootstrap_labels | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v0 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v1 |
| ef:activity/change/20260821T1302361922970000/1851 | name | ef:agent/bootstrap_labels | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v1 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v2 |
| ef:activity/change/20260821T1302361922970000/1852 | synonyms | ef:agent/bootstrap_labels | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v2 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v3 |
| ef:activity/change/20260821T1302361922970000/118812 | context | ef:agent/default_context_mapping | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v3 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v4 |
| ef:activity/change/20260821T1302361922970000/118813 | context_iri | ef:agent/default_context_mapping | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v4 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v5 |
| ef:activity/change/20260821T1302361922970000/213955 | unit_iri | ef:agent/unit_normalization | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v5 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v6 |
| ef:activity/change/20260821T1302361922970000/221523 | prefLabel | ef:agent/normalize_name_case | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v6 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v7 |
| ef:activity/change/20260821T1302361922970000/228959 | properties | ef:agent/enrich_references | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v7 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v8 |
| ef:activity/change/20260821T1302361922970000/228960 | skos_definition | ef:agent/enrich_references | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v8 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v9 |
| ef:activity/change/20260821T1302361922970000/228961 | references | ef:agent/enrich_references | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v9 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v10 |
| ef:activity/change/20260821T1302361922970000/248828 | properties | ef:agent/rdkit_pre_consensus | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v10 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v11 |
| ef:activity/change/20260821T1302361922970000/273266 | altLabel | ef:agent/consensus_match | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v11 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v12 |
| ef:activity/change/20260821T1302361922970000/273267 | cas_match_labels | ef:agent/consensus_match | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v12 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v13 |
| ef:activity/change/20260821T1302361922970000/273949 | properties | ef:agent/opsin_iupac | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v13 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v14 |
| ef:activity/change/20260821T1302361922970000/280349 | properties | ef:agent/rdkit_post_consensus | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v14 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v15 |
| ef:activity/change/20260821T1302361922970000/286747 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v15 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v16 |
| ef:activity/change/20260821T1302361922970000/287622 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v16 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v17 |
| ef:activity/change/20260821T1302361922970000/340404 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v17 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v18 |
| ef:activity/change/20260821T1302361922970000/394891 | types | ef:agent/link_flows_to_their_substance | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v18 | ef:flow/73e5e171-de76-402d-b4e5-77c95334859a/v19 |