Sodium Chloroacetate
Everything that changed this flow. Back to the flow
f43a41d7-8f53-4d8e-b646-a44c197ec76c
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=sodiumchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=3926-62-3; added Common Chemistry CAS names as altLabel: Acetic acid, 2-chloro-, sodium salt (1:1), Acetic acid, chloro-, sodium salt, Chloroacetic acid sodium salt, Monochloroacetic acid sodium salt, SMA, SMA (herbicide), Sodium 2-chloroacetate, Sodium chloroethanoate, Sodium monochloroacetate, Sodium monochloroactetate, Sodium α-chloroacetate; object_uuid=fo-548a9e5ab35453b0 |
| cas_match_labels | 1 | consensus_match | group_key=sodiumchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3926-62-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548a9e5ab35453b0: {'3926-62-3': '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 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=['3926-62-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23665759, 45051746, 86584106]; selected_pubchem_cids=[45051746]; 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 |
|---|---|---|---|---|---|
| 20,471 | bootstrap_labels | prefLabel | — | [{"@value":"sodium chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 20,472 | bootstrap_labels | name | sodium chloroacetate | — | Purged legacy name field to enforce prefLabel usage |
| 20,473 | bootstrap_labels | synonyms | [".alpha.-Chloroacetic acid","2-chloroacetic acid","AB1002140","AC1L18XJ","AC1Q75JS","AC1Q75JT","AKOS000118920","Acetic… | [] | Removed legacy synonyms field in favor of structured labels |
| 196,606 | 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 |
| 196,607 | 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 |
| 219,972 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,739 | normalize_name_case | prefLabel | [{"@value":"sodium chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Sodium Chloroacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,096 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,097 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,098 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=3926-62-3","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['3926-62-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[23665759, 45051746, 86584106]; selected_pubchem_cids=[45051746]; 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 |
| 253,779 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | rdkit_pre_consensus from 'C(C(=O)O)Cl.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,887 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, 2-chloro-, sodium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=sodiumchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=3926-62-3; added Common Chemistry CAS names as altLabel: Acetic acid, 2-chloro-, sodium salt (1:1), Acetic acid, chloro-, sodium salt, Chloroacetic acid sodium salt, Monochloroacetic acid sodium salt, SMA, SMA (herbicide), Sodium 2-chloroacetate, Sodium chloroethanoate, Sodium monochloroacetate, Sodium monochloroactetate, Sodium α-chloroacetate; object_uuid=fo-548a9e5ab35453b0 |
| 271,888 | consensus_match | cas_match_labels | — | {"3926-62-3":"exactMatch"} | group_key=sodiumchloroacetate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'3926-62-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548a9e5ab35453b0: {'3926-62-3': 'exactMatch'} |
| 278,996 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium Chloroacetate' |
| 285,817 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3ClNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClNaO2… | rdkit_post_consensus from 'O=C([O-])CCl.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,198 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H2ClNaO2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 379,357 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f43a41d7-8f53-… | associations resolved on the elementary layer |
| 402,301 | 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/20260820T0738569779880000/20471 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v0 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v1 |
| ef:activity/change/20260820T0738569779880000/20472 | name | ef:agent/bootstrap_labels | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v1 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v2 |
| ef:activity/change/20260820T0738569779880000/20473 | synonyms | ef:agent/bootstrap_labels | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v2 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v3 |
| ef:activity/change/20260820T0738569779880000/196606 | context | ef:agent/default_context_mapping | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v3 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v4 |
| ef:activity/change/20260820T0738569779880000/196607 | context_iri | ef:agent/default_context_mapping | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v4 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v5 |
| ef:activity/change/20260820T0738569779880000/219972 | unit_iri | ef:agent/unit_normalization | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v5 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v6 |
| ef:activity/change/20260820T0738569779880000/225739 | prefLabel | ef:agent/normalize_name_case | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v6 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v7 |
| ef:activity/change/20260820T0738569779880000/246096 | properties | ef:agent/enrich_references | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v7 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v8 |
| ef:activity/change/20260820T0738569779880000/246097 | skos_definition | ef:agent/enrich_references | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v8 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v9 |
| ef:activity/change/20260820T0738569779880000/246098 | references | ef:agent/enrich_references | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v9 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v10 |
| ef:activity/change/20260820T0738569779880000/253779 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v10 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v11 |
| ef:activity/change/20260820T0738569779880000/271887 | altLabel | ef:agent/consensus_match | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v11 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v12 |
| ef:activity/change/20260820T0738569779880000/271888 | cas_match_labels | ef:agent/consensus_match | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v12 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v13 |
| ef:activity/change/20260820T0738569779880000/278996 | properties | ef:agent/opsin_iupac | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v13 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v14 |
| ef:activity/change/20260820T0738569779880000/285817 | properties | ef:agent/rdkit_post_consensus | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v14 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v15 |
| ef:activity/change/20260820T0738569779880000/287198 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v15 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v16 |
| ef:activity/change/20260820T0738569779880000/379357 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v16 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v17 |
| ef:activity/change/20260820T0738569779880000/402301 | types | ef:agent/link_flows_to_their_substance | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v17 | ef:flow/f43a41d7-8f53-4d8e-b646-a44c197ec76c/v18 |