[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic Acid
Everything that changed this flow. Back to the flow
2f9ade58-e798-44e2-ad4d-93cf28bf9bf3
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 5 catalogue altLabel value(s): 'DQ 2060' (grade code), 'Dequest 2060' (trade name), 'Dequest 2060A' (trade name), 'Dequest 2060S' (trade name), 'Lonza 905' (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[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'15827-60-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-eda44f906ad748d0: {'15827-60-8': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['15827-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[16124, 85128, 18931850, 163198888, 170923454]; selected_pubchem_cids=[85128]; 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 |
|---|---|---|---|---|---|
| 1,927 | bootstrap_labels | prefLabel | — | [{"@value":"[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid","@language":"en… | Bootstrapped prefLabel from legacy name field |
| 1,928 | bootstrap_labels | name | [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 20,556 | bootstrap_labels | synonyms | ["[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonicacid","phosphonic acid, [[(phosp… | [] | Removed legacy synonyms field in favor of structured labels |
| 68,278 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 68,279 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,981 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,540 | normalize_name_case | prefLabel | [{"@value":"[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid","@language":"en… | [{"@value":"[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic Acid","@language":"en… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,033 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,034 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,035 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J219.842H","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['15827-60-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[16124, 85128, 18931850, 163198888, 170923454]; selected_pubchem_cids=[85128]; 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 |
| 248,848 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | 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'; added: molecular_mass, monoisotopic_mass |
| 263,453 | consensus_match | altLabel | [] | [{"@value":"<em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(met… | group_key=[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonicacid||dimension=Environmental > media=Water > water_body=Surface water; cas=15827-60-8; added Common Chemistry CAS names as altLabel: <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis[phosphonic acid], CIX, Cublen D 50, Cublen DNC 450, DETPMP, DQ 2060, DTPA-P, DTPF, DTPMP, DTPMPA, DTPP, DTPPA, Dequest 2060, Dequest 2060A, Dequest 2060S, Dequest SPE 9505, Diethylenetriamine-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′′,<em>N</em>′′-penta(methylenephosphonic acid), Diethylenetriamine-<em>N</em>,<em>N</em>,<em>N</em>′,<em>N</em>′′,<em>N</em>′′-pentakis(methylenephosphonic acid), Diethylenetriaminepenta(methylenephosphonic acid), Diethylenetriaminepentakis(methylenephosphonic acid), Diethylenetriaminepentakis(methylphosphonic acid), Diethylenetriaminopenta(methylenephosphonic acid), Ethylenetriaminepenta(methylenephosphonic acid), Lonza 905, Phosphonic acid, <em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-, Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-, Sequion 40H50, Sirrix Antox, Versenate PS; object_uuid=fo-eda44f906ad748d0 |
| 263,454 | consensus_match | cas_match_labels | — | {"15827-60-8":"exactMatch"} | group_key=[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonicacid||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'15827-60-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-eda44f906ad748d0: {'15827-60-8': 'exactMatch'} |
| 273,971 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-' |
| 280,371 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | 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'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,637 | strip_catalogue_altlabels | altLabel | [{"@value":"<em>P</em>,<em>P</em>′,<em>P</em>′′,<em>P</em>′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(met… | [{"@value":"P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]",… | Removed 5 catalogue altLabel value(s): 'DQ 2060' (grade code), 'Dequest 2060' (trade name), 'Dequest 2060A' (trade name), 'Dequest 2060S' (trade name), 'Lonza 905' (trade name) |
| 315,156 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2f9ade58-e798-… | associations resolved on the elementary layer |
| 388,260 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H28N3O15… | typed the way the ontology types it |
| 394,920 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/1927 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v0 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v1 |
| ef:activity/change/20260821T1554374006150000/1928 | name | ef:agent/bootstrap_labels | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v1 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v2 |
| ef:activity/change/20260821T1554374006150000/20556 | synonyms | ef:agent/bootstrap_labels | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v2 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v3 |
| ef:activity/change/20260821T1554374006150000/68278 | context | ef:agent/default_context_mapping | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v3 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v4 |
| ef:activity/change/20260821T1554374006150000/68279 | context_iri | ef:agent/default_context_mapping | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v4 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v5 |
| ef:activity/change/20260821T1554374006150000/213981 | unit_iri | ef:agent/unit_normalization | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v5 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v6 |
| ef:activity/change/20260821T1554374006150000/221540 | prefLabel | ef:agent/normalize_name_case | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v6 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v7 |
| ef:activity/change/20260821T1554374006150000/229033 | properties | ef:agent/enrich_references | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v7 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v8 |
| ef:activity/change/20260821T1554374006150000/229034 | skos_definition | ef:agent/enrich_references | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v8 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v9 |
| ef:activity/change/20260821T1554374006150000/229035 | references | ef:agent/enrich_references | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v9 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v10 |
| ef:activity/change/20260821T1554374006150000/248848 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v10 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v11 |
| ef:activity/change/20260821T1554374006150000/263453 | altLabel | ef:agent/consensus_match | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v11 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v12 |
| ef:activity/change/20260821T1554374006150000/263454 | cas_match_labels | ef:agent/consensus_match | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v12 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v13 |
| ef:activity/change/20260821T1554374006150000/273971 | properties | ef:agent/opsin_iupac | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v13 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v14 |
| ef:activity/change/20260821T1554374006150000/280371 | properties | ef:agent/rdkit_post_consensus | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v14 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v15 |
| ef:activity/change/20260821T1554374006150000/287637 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v15 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v16 |
| ef:activity/change/20260821T1554374006150000/315156 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v16 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v17 |
| ef:activity/change/20260821T1554374006150000/388260 | properties | ef:agent/normalise_property_values | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v17 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v18 |
| ef:activity/change/20260821T1554374006150000/394920 | types | ef:agent/link_flows_to_their_substance | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v18 | ef:flow/2f9ade58-e798-44e2-ad4d-93cf28bf9bf3/v19 |