Sodium Hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate
Everything that changed this flow. Back to the flow
f34db895-dd34-4188-9c01-fc05d6ee14e3
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=sodiumhydrogen(1-hydroxy-1-phosphonoethyl)phosphonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'29329-71-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b268400a7c8861d: {'29329-71-3': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['29329-71-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[19629, 23894, 6335946, 23338401, 23687324, 57371113]; selected_pubchem_cids=[6335946]; 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 |
|---|---|---|---|---|---|
| 5,528 | bootstrap_labels | prefLabel | — | [{"@value":"sodium hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Bootstrapped prefLabel from legacy name field |
| 5,529 | bootstrap_labels | name | sodium hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate | — | Purged legacy name field to enforce prefLabel usage |
| 5,530 | bootstrap_labels | synonyms | ["organic","(1-hydroxyethylidene)bisphosphonicacid,sodiumsalt","airquestc","aquacid1054ex","briquestadpa-20as","briques… | [] | Removed legacy synonyms field in favor of structured labels |
| 196,084 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 196,085 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,185 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,376 | normalize_name_case | prefLabel | [{"@value":"sodium hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"Sodium Hydrogen (1-hydroxy-1-phosphonoethyl)phosphonate","@language":"en","source":{"prov:wasGeneratedBy":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,495 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,496 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,497 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.045.040","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['29329-71-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[19629, 23894, 6335946, 23338401, 23687324, 57371113]; selected_pubchem_cids=[6335946]; 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 |
| 249,843 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | rdkit_pre_consensus from 'CC(O)(P(=O)(O)O)P(=O)(O)O.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,921 | consensus_match | altLabel | [] | [{"@value":"1-Hydroxyethane-1,1-diphosphonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=sodiumhydrogen(1-hydroxy-1-phosphonoethyl)phosphonate||dimension=Environmental > media=Air > strata=Long-term; cas=29329-71-3; added Common Chemistry CAS names as altLabel: 1-Hydroxyethane-1,1-diphosphonic acid sodium salt, 1-Hydroxyethylidene-1,1-diphosphonic acid sodium salt, 1-Hydroxyethylidenediphosphonic acid sodium salt, Briquest ADPA 60SH, Cublen K 8514GR, HEDP sodium salt, Hydroxyethane-1,1-diphosphonic acid sodium salt, Phosphonic acid, (1-hydroxyethylidene)bis-, sodium salt, Phosphonic acid, (1-hydroxyethylidene)di-, sodium salt, Phosphonic acid, <em>P</em>,<em>P</em>′-(1-hydroxyethylidene)bis-, sodium salt (1:?), Sodium 1-hydroxyethane-1,1-diphosphonate; object_uuid=fo-5b268400a7c8861d |
| 271,922 | consensus_match | cas_match_labels | — | {"29329-71-3":"exactMatch"} | group_key=sodiumhydrogen(1-hydroxy-1-phosphonoethyl)phosphonate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory']; cas_sources={'29329-71-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b268400a7c8861d: {'29329-71-3': 'exactMatch'} |
| 274,982 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-Hydroxyethane-1,1-diphosphonic acid sodium salt' |
| 281,466 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H8NaO7P2… | {"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 |
| 286,832 | 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 |
| 292,271 | dedupe_altlabels | altLabel | [{"@value":"1-Hydroxyethane-1,1-diphosphonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"1-Hydroxyethane-1,1-diphosphonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consen… | Deduplicated altLabel values and removed entries matching prefLabel |
| 379,075 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f34db895-dd34-… | associations resolved on the elementary layer |
| 396,372 | 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/20260821T1554374006150000/5528 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v0 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v1 |
| ef:activity/change/20260821T1554374006150000/5529 | name | ef:agent/bootstrap_labels | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v1 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v2 |
| ef:activity/change/20260821T1554374006150000/5530 | synonyms | ef:agent/bootstrap_labels | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v2 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v3 |
| ef:activity/change/20260821T1554374006150000/196084 | context | ef:agent/default_context_mapping | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v3 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v4 |
| ef:activity/change/20260821T1554374006150000/196085 | context_iri | ef:agent/default_context_mapping | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v4 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v5 |
| ef:activity/change/20260821T1554374006150000/215185 | unit_iri | ef:agent/unit_normalization | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v5 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v6 |
| ef:activity/change/20260821T1554374006150000/222376 | prefLabel | ef:agent/normalize_name_case | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v6 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v7 |
| ef:activity/change/20260821T1554374006150000/232495 | properties | ef:agent/enrich_references | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v7 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v8 |
| ef:activity/change/20260821T1554374006150000/232496 | skos_definition | ef:agent/enrich_references | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v8 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v9 |
| ef:activity/change/20260821T1554374006150000/232497 | references | ef:agent/enrich_references | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v9 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v10 |
| ef:activity/change/20260821T1554374006150000/249843 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v10 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v11 |
| ef:activity/change/20260821T1554374006150000/271921 | altLabel | ef:agent/consensus_match | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v11 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v12 |
| ef:activity/change/20260821T1554374006150000/271922 | cas_match_labels | ef:agent/consensus_match | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v12 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v13 |
| ef:activity/change/20260821T1554374006150000/274982 | properties | ef:agent/opsin_iupac | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v13 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v14 |
| ef:activity/change/20260821T1554374006150000/281466 | properties | ef:agent/rdkit_post_consensus | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v14 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v15 |
| ef:activity/change/20260821T1554374006150000/286832 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v15 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v16 |
| ef:activity/change/20260821T1554374006150000/292271 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v16 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v17 |
| ef:activity/change/20260821T1554374006150000/379075 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v17 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v18 |
| ef:activity/change/20260821T1554374006150000/396372 | types | ef:agent/link_flows_to_their_substance | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v18 | ef:flow/f34db895-dd34-4188-9c01-fc05d6ee14e3/v19 |