Tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)
Everything that changed this flow. Back to the flow
3736f7f5-7188-4305-ac89-bd48c34c062b
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 5 catalogue altLabel value(s): 'DQ 2016' (grade code), 'Dequest 2016' (trade name), 'Dequest 2016D' (trade name), 'Encap 81105' (trade name), 'PH 214' (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=tetrasodium(1-hydroxyethane-1,1-diyl)bis(phosphonate)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3794-83-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9962a71578f83db0: {'3794-83-0': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3794-83-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[19629, 57349536, 73557475, 131853173, 154824967]; selected_pubchem_cids=[131853173]; 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 |
|---|---|---|---|---|---|
| 18,223 | bootstrap_labels | prefLabel | — | [{"@value":"tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)","@language":"en","source":{"prov:wasGeneratedBy":"b… | Bootstrapped prefLabel from legacy name field |
| 18,224 | bootstrap_labels | name | tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate) | — | Purged legacy name field to enforce prefLabel usage |
| 18,225 | bootstrap_labels | synonyms | ["organic","tetrasodium(1-hydroxyethylidene)bisphosphonate","haphonathnag(hedp)techn."] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,420 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 73,421 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,300 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,249 | normalize_name_case | prefLabel | [{"@value":"tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)","@language":"en","source":{"prov:wasGeneratedBy":"b… | [{"@value":"Tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)","@language":"en","source":{"prov:wasGeneratedBy":"b… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,229 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,230 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,231 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3794-83-0","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3794-83-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[19629, 57349536, 73557475, 131853173, 154824967]; selected_pubchem_cids=[131853173]; 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 |
| 253,229 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | rdkit_pre_consensus from 'CC(O)(P(=O)(O)O)P(=O)(O)O.[Na].[Na].[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 272,509 | consensus_match | altLabel | [] | [{"@value":"(Hydroxyethylidene)diphosphonic acid tetrasodium salt","@language":"en","source":{"prov:wasGeneratedBy":"co… | group_key=tetrasodium(1-hydroxyethane-1,1-diyl)bis(phosphonate)||dimension=Environmental > media=Water > water_body=Long-term; cas=3794-83-0; added Common Chemistry CAS names as altLabel: (Hydroxyethylidene)diphosphonic acid tetrasodium salt, 1-Hydroxyethane-1,1-diphosphonic acid tetrasodium salt, 1-Hydroxyethylidene-1,1-diphosphonic acid tetrasodium salt, Briquest ADPA 21SH, Chelest PH 214, DQ 2016, Defloc EN 43, Dequest 2016, Dequest 2016D, Encap 81105, Etidronic acid tetrasodium salt, Feliox 115A tetrasodium salt, PH 214, Phosphonic acid, (1-hydroxyethylidene)bis-, tetrasodium salt, Phosphonic acid, (1-hydroxyethylidene)di-, tetrasodium salt, Phosphonic acid, <em>P</em>,<em>P</em>′-(1-hydroxyethylidene)bis-, sodium salt (1:4), SHEDN, Sequion 10Na4, Tarpinel 4NL, Tetrasodium (1-hydroxyethylidene)bis[phosphonate], Tetrasodium (1-hydroxyethylidene)diphosphonate, Tetrasodium 1-hydroxy-1,1-ethanediphosphonate, Tetrasodium HEDP, Tetrasodium etidronate, Tetrasodium hydroxyethylidene-1,1-diphosphonate, Turpinal 4NL; object_uuid=fo-9962a71578f83db0 |
| 272,510 | consensus_match | cas_match_labels | — | {"3794-83-0":"exactMatch"} | group_key=tetrasodium(1-hydroxyethane-1,1-diyl)bis(phosphonate)||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3794-83-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9962a71578f83db0: {'3794-83-0': 'exactMatch'} |
| 278,439 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Tetrasodium (1-hydroxyethane-1,1-diyl)bis(phosphonate)' |
| 285,201 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8Na4O7P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4Na4O7P… | rdkit_post_consensus from 'CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,122 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4Na4O7P… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4Na4O7P… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,928 | strip_catalogue_altlabels | altLabel | [{"@value":"(Hydroxyethylidene)diphosphonic acid tetrasodium salt","@language":"en","source":{"prov:wasGeneratedBy":"co… | [{"@value":"(Hydroxyethylidene)diphosphonic acid tetrasodium salt","@language":"en","source":{"prov:wasGeneratedBy":"co… | Removed 5 catalogue altLabel value(s): 'DQ 2016' (grade code), 'Dequest 2016' (trade name), 'Dequest 2016D' (trade name), 'Encap 81105' (trade name), 'PH 214' (grade code) |
| 317,726 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3736f7f5-7188-… | associations resolved on the elementary layer |
| 401,451 | 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/20260821T1554374006150000/18223 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v0 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v1 |
| ef:activity/change/20260821T1554374006150000/18224 | name | ef:agent/bootstrap_labels | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v1 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v2 |
| ef:activity/change/20260821T1554374006150000/18225 | synonyms | ef:agent/bootstrap_labels | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v2 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v3 |
| ef:activity/change/20260821T1554374006150000/73420 | context | ef:agent/default_context_mapping | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v3 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v4 |
| ef:activity/change/20260821T1554374006150000/73421 | context_iri | ef:agent/default_context_mapping | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v4 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v5 |
| ef:activity/change/20260821T1554374006150000/219300 | unit_iri | ef:agent/unit_normalization | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v5 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v6 |
| ef:activity/change/20260821T1554374006150000/225249 | prefLabel | ef:agent/normalize_name_case | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v6 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v7 |
| ef:activity/change/20260821T1554374006150000/244229 | properties | ef:agent/enrich_references | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v7 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v8 |
| ef:activity/change/20260821T1554374006150000/244230 | skos_definition | ef:agent/enrich_references | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v8 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v9 |
| ef:activity/change/20260821T1554374006150000/244231 | references | ef:agent/enrich_references | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v9 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v10 |
| ef:activity/change/20260821T1554374006150000/253229 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v10 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v11 |
| ef:activity/change/20260821T1554374006150000/272509 | altLabel | ef:agent/consensus_match | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v11 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v12 |
| ef:activity/change/20260821T1554374006150000/272510 | cas_match_labels | ef:agent/consensus_match | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v12 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v13 |
| ef:activity/change/20260821T1554374006150000/278439 | properties | ef:agent/opsin_iupac | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v13 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v14 |
| ef:activity/change/20260821T1554374006150000/285201 | properties | ef:agent/rdkit_post_consensus | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v14 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v15 |
| ef:activity/change/20260821T1554374006150000/287122 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v15 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v16 |
| ef:activity/change/20260821T1554374006150000/290928 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v16 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v17 |
| ef:activity/change/20260821T1554374006150000/317726 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v17 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v18 |
| ef:activity/change/20260821T1554374006150000/401451 | types | ef:agent/link_flows_to_their_substance | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v18 | ef:flow/3736f7f5-7188-4305-ac89-bd48c34c062b/v19 |