[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic Acid, Sodium Salt
Everything that changed this flow. Back to the flow
5f02376c-bda0-4bb7-90af-de4ce3aab978
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 3 catalogue altLabel value(s): 'Briquest 221' (trade name), 'Dequest 2066' (trade name), 'Dequest 4066' (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=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'22042-96-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e002457be0d1758: {'22042-96-2': '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=['22042-96-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[22833459, 22833460, 23299039, 23692758, 129893763, 170851622]; selected_pubchem_cids=[170851622]; 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 |
|---|---|---|---|---|---|
| 11,411 | bootstrap_labels | prefLabel | — | [{"@value":"[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt","@langu… | Bootstrapped prefLabel from legacy name field |
| 11,412 | bootstrap_labels | name | [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt | — | Purged legacy name field to enforce prefLabel usage |
| 11,413 | bootstrap_labels | synonyms | ["(((Phosphonomethyl)imino)bis((ethylenenitrilo)bis(methylene)))tetrakisphosphonic acid, sodium salt","Briquest 543-33S… | [] | Removed legacy synonyms field in favor of structured labels |
| 106,172 | 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 |
| 106,173 | 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 |
| 217,122 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,758 | normalize_name_case | prefLabel | [{"@value":"[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt","@langu… | [{"@value":"[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic Acid, Sodium Salt","@langu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,033 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,034 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,035 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.040.669","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['22042-96-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[22833459, 22833460, 23299039, 23692758, 129893763, 170851622]; selected_pubchem_cids=[170851622]; 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 |
| 251,434 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | rdkit_pre_consensus from 'C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 263,451 | consensus_match | altLabel | [] | [{"@value":"Briquest 221","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | group_key=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=22042-96-2; added Common Chemistry CAS names as altLabel: Briquest 221, Briquest 543-25S, Briquest 543-33S, Briquest 543-45, Briquest 543-45AS, Cublen D 3217N, DETPM, Dequest 2066, Dequest 4066, Diethylenetriaminepenta(methylenephosphonic acid) sodium salt, Masquol P 550, Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt (1:?), Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, sodium salt, Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt, Sequion 40Na32, Wayplex 55S; object_uuid=fo-8e002457be0d1758 |
| 263,452 | consensus_match | cas_match_labels | — | {"22042-96-2":"exactMatch"} | group_key=[[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonicacid,sodiumsalt||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'22042-96-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8e002457be0d1758: {'22042-96-2': 'exactMatch'} |
| 276,612 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, sodium salt' |
| 283,237 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3NaO… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H26N3Na2… | rdkit_post_consensus from 'O=P([O-])([O-])CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O.[Na+].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,963 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H26N3Na2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H26N3Na2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,610 | strip_catalogue_altlabels | altLabel | [{"@value":"Briquest 221","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | [{"@value":"Briquest 543-25S","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Removed 3 catalogue altLabel value(s): 'Briquest 221' (trade name), 'Dequest 2066' (trade name), 'Dequest 4066' (trade name) |
| 334,084 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5f02376c-bda0-… | associations resolved on the elementary layer |
| 398,815 | 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/20260821T1554374006150000/11411 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v0 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v1 |
| ef:activity/change/20260821T1554374006150000/11412 | name | ef:agent/bootstrap_labels | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v1 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v2 |
| ef:activity/change/20260821T1554374006150000/11413 | synonyms | ef:agent/bootstrap_labels | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v2 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v3 |
| ef:activity/change/20260821T1554374006150000/106172 | context | ef:agent/default_context_mapping | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v3 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v4 |
| ef:activity/change/20260821T1554374006150000/106173 | context_iri | ef:agent/default_context_mapping | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v4 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v5 |
| ef:activity/change/20260821T1554374006150000/217122 | unit_iri | ef:agent/unit_normalization | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v5 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v6 |
| ef:activity/change/20260821T1554374006150000/223758 | prefLabel | ef:agent/normalize_name_case | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v6 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v7 |
| ef:activity/change/20260821T1554374006150000/238033 | properties | ef:agent/enrich_references | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v7 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v8 |
| ef:activity/change/20260821T1554374006150000/238034 | skos_definition | ef:agent/enrich_references | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v8 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v9 |
| ef:activity/change/20260821T1554374006150000/238035 | references | ef:agent/enrich_references | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v9 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v10 |
| ef:activity/change/20260821T1554374006150000/251434 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v10 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v11 |
| ef:activity/change/20260821T1554374006150000/263451 | altLabel | ef:agent/consensus_match | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v11 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v12 |
| ef:activity/change/20260821T1554374006150000/263452 | cas_match_labels | ef:agent/consensus_match | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v12 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v13 |
| ef:activity/change/20260821T1554374006150000/276612 | properties | ef:agent/opsin_iupac | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v13 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v14 |
| ef:activity/change/20260821T1554374006150000/283237 | properties | ef:agent/rdkit_post_consensus | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v14 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v15 |
| ef:activity/change/20260821T1554374006150000/286963 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v15 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v16 |
| ef:activity/change/20260821T1554374006150000/289610 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v16 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v17 |
| ef:activity/change/20260821T1554374006150000/334084 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v17 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v18 |
| ef:activity/change/20260821T1554374006150000/398815 | types | ef:agent/link_flows_to_their_substance | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v18 | ef:flow/5f02376c-bda0-4bb7-90af-de4ce3aab978/v19 |