Hydrogen Tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate
Everything that changed this flow. Back to the flow
fedc9e3d-40e6-48b4-9417-354952f27f3e
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=hydrogentetrasodium2-phosphonatobutane-1,2,4-tricarboxylate||dimension=Environmental > media=Air > indoor=Unknown; cas=66669-53-2; added Common Chemistry CAS names as altLabel: 1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:4), 1,2,4-Butanetricarboxylic acid, 2-phosphono-, tetrasodium salt, Bayhibit S, Tetrasodium phosphonobutanetricarboxylic acid; object_uuid=fo-835a031d65cbb012 |
| cas_match_labels | 1 | consensus_match | group_key=hydrogentetrasodium2-phosphonatobutane-1,2,4-tricarboxylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'66669-53-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-835a031d65cbb012: {'66669-53-2': '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 soil > Emissions to agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['66669-53-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6455350, 129893853]; selected_pubchem_cids=[129893853]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,953 | bootstrap_labels | prefLabel | — | [{"@value":"hydrogen tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate","@language":"en","source":{"prov:wasGenerate… | Bootstrapped prefLabel from legacy name field |
| 5,954 | bootstrap_labels | name | hydrogen tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate | — | Purged legacy name field to enforce prefLabel usage |
| 5,955 | bootstrap_labels | synonyms | ["organic","tetrasodiumhydrogen2-phosphonatobutane-1,2,4-tricarboxylate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 212,646 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 212,647 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,328 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,470 | normalize_name_case | prefLabel | [{"@value":"hydrogen tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate","@language":"en","source":{"prov:wasGenerate… | [{"@value":"Hydrogen Tetrasodium 2-phosphonatobutane-1,2,4-tricarboxylate","@language":"en","source":{"prov:wasGenerate… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,906 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,907 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,908 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=66669-53-2","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['66669-53-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[6455350, 129893853]; selected_pubchem_cids=[129893853]; 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 |
| 249,966 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | rdkit_pre_consensus from 'C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O.[Na].[Na].[Na].[Na]'; added: molecular_mass, monoisotopic_mass |
| 267,879 | consensus_match | altLabel | [] | [{"@value":"1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:4)","@language":"en","source":{"prov:wasGenera… | group_key=hydrogentetrasodium2-phosphonatobutane-1,2,4-tricarboxylate||dimension=Environmental > media=Air > indoor=Unknown; cas=66669-53-2; added Common Chemistry CAS names as altLabel: 1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:4), 1,2,4-Butanetricarboxylic acid, 2-phosphono-, tetrasodium salt, Bayhibit S, Tetrasodium phosphonobutanetricarboxylic acid; object_uuid=fo-835a031d65cbb012 |
| 267,880 | consensus_match | cas_match_labels | — | {"66669-53-2":"exactMatch"} | group_key=hydrogentetrasodium2-phosphonatobutane-1,2,4-tricarboxylate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'66669-53-2': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-835a031d65cbb012: {'66669-53-2': 'exactMatch'} |
| 275,098 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,2,4-Butanetricarboxylic acid, 2-phosphono-, sodium salt (1:4)' |
| 281,595 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | rdkit_post_consensus from 'O=C([O-])CCC(CC(=O)[O-])(C(=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 |
| 286,846 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H11Na4O9… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 387,366 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fedc9e3d-40e6-… | associations resolved on the elementary layer |
| 396,546 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/5953 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v0 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v1 |
| ef:activity/change/20260822T0600486828500000/5954 | name | ef:agent/bootstrap_labels | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v1 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v2 |
| ef:activity/change/20260822T0600486828500000/5955 | synonyms | ef:agent/bootstrap_labels | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v2 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v3 |
| ef:activity/change/20260822T0600486828500000/212646 | context | ef:agent/default_context_mapping | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v3 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v4 |
| ef:activity/change/20260822T0600486828500000/212647 | context_iri | ef:agent/default_context_mapping | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v4 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v5 |
| ef:activity/change/20260822T0600486828500000/215328 | unit_iri | ef:agent/unit_normalization | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v5 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v6 |
| ef:activity/change/20260822T0600486828500000/222470 | prefLabel | ef:agent/normalize_name_case | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v6 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v7 |
| ef:activity/change/20260822T0600486828500000/232906 | properties | ef:agent/enrich_references | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v7 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v8 |
| ef:activity/change/20260822T0600486828500000/232907 | skos_definition | ef:agent/enrich_references | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v8 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v9 |
| ef:activity/change/20260822T0600486828500000/232908 | references | ef:agent/enrich_references | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v9 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v10 |
| ef:activity/change/20260822T0600486828500000/249966 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v10 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v11 |
| ef:activity/change/20260822T0600486828500000/267879 | altLabel | ef:agent/consensus_match | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v11 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v12 |
| ef:activity/change/20260822T0600486828500000/267880 | cas_match_labels | ef:agent/consensus_match | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v12 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v13 |
| ef:activity/change/20260822T0600486828500000/275098 | properties | ef:agent/opsin_iupac | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v13 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v14 |
| ef:activity/change/20260822T0600486828500000/281595 | properties | ef:agent/rdkit_post_consensus | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v14 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v15 |
| ef:activity/change/20260822T0600486828500000/286846 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v15 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v16 |
| ef:activity/change/20260822T0600486828500000/387366 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v16 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v17 |
| ef:activity/change/20260822T0600486828500000/396546 | types | ef:agent/link_flows_to_their_substance | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v17 | ef:flow/fedc9e3d-40e6-48b4-9417-354952f27f3e/v18 |