Sodium thioglycolate
Everything that changed this flow. Back to the flow
371b277f-6d6a-43d8-8169-353ad6a87c5a
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 | 3 | chebi_altlabels, consensus_match | group_key=sodiumsulfanylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=367-51-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, sodium salt (1:1), Acetic acid, mercapto-, monosodium salt, Erhavit D, Mercaptoacetic acid sodium salt, Mollescal SF, Sodium 2-mercaptoacetate, Sodium 2-mercaptoethanoate, Thioglycolic acid sodium salt; object_uuid=fo-21ee165644f610c4 |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=367-51-1; cc_chebi_agreed_name='Sodium thioglycolate'; object_uuid=fo-21ee165644f610c4 |
| cas_match_labels | 1 | consensus_match | group_key=sodiumsulfanylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'367-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-21ee165644f610c4: {'367-51-1': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['367-51-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86481']; candidate_pubchem_cids=[98762, 23690444, 87063579]; selected_pubchem_cids=[23690444]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,960 | bootstrap_labels | prefLabel | — | [{"@value":"sodium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 4,961 | bootstrap_labels | name | sodium sulfanylacetate | — | Purged legacy name field to enforce prefLabel usage |
| 4,962 | bootstrap_labels | synonyms | ["organic","sodiummercaptoacetate","natg","rm155sodiumthioglycolate,bacteriologicalgrade","sodiumthioglycolate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,368 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 73,369 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 214,996 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,242 | normalize_name_case | prefLabel | [{"@value":"sodium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Sodium Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,948 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,949 | enrich_references | skos_definition | — | [{"@value":"An organic sodium salt having thioglycolate(1−) as the counterion.","@language":"en","provenance":{"prov:wa… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,950 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.438.231C","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['367-51-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_86481']; candidate_pubchem_cids=[98762, 23690444, 87063579]; selected_pubchem_cids=[23690444]; 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 |
| 249,687 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | rdkit_pre_consensus from 'C(C(=O)[O-])S.[Na+]'; added: monoisotopic_mass |
| 255,011 | chebi_altlabels | altLabel | [] | [{"@value":"Mercaptoacetic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,027 | consensus_match | prefLabel | [{"@value":"Sodium Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Sodium thioglycolate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | cas=367-51-1; cc_chebi_agreed_name='Sodium thioglycolate'; object_uuid=fo-21ee165644f610c4 |
| 272,028 | consensus_match | altLabel | [{"@value":"Mercaptoacetic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"Mercaptoacetic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | cas=367-51-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-21ee165644f610c4 |
| 272,029 | consensus_match | altLabel | [{"@value":"Mercaptoacetic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"Mercaptoacetic acid, sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=sodiumsulfanylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=367-51-1; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, sodium salt (1:1), Acetic acid, mercapto-, monosodium salt, Erhavit D, Mercaptoacetic acid sodium salt, Mollescal SF, Sodium 2-mercaptoacetate, Sodium 2-mercaptoethanoate, Thioglycolic acid sodium salt; object_uuid=fo-21ee165644f610c4 |
| 272,030 | consensus_match | cas_match_labels | — | {"367-51-1":"exactMatch"} | group_key=sodiumsulfanylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'367-51-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-21ee165644f610c4: {'367-51-1': 'exactMatch'} |
| 274,822 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium thioglycolate' |
| 281,293 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | rdkit_post_consensus from 'O=C([O-])CS.[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 317,700 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/371b277f-6d6a-… | associations resolved on the elementary layer |
| 389,127 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3NaO2S"… | typed the way the ontology types it |
| 396,152 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1302361922970000/4960 | prefLabel | ef:agent/bootstrap_labels | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v0 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v1 |
| ef:activity/change/20260821T1302361922970000/4961 | name | ef:agent/bootstrap_labels | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v1 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v2 |
| ef:activity/change/20260821T1302361922970000/4962 | synonyms | ef:agent/bootstrap_labels | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v2 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v3 |
| ef:activity/change/20260821T1302361922970000/73368 | context | ef:agent/default_context_mapping | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v3 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v4 |
| ef:activity/change/20260821T1302361922970000/73369 | context_iri | ef:agent/default_context_mapping | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v4 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v5 |
| ef:activity/change/20260821T1302361922970000/214996 | unit_iri | ef:agent/unit_normalization | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v5 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v6 |
| ef:activity/change/20260821T1302361922970000/222242 | prefLabel | ef:agent/normalize_name_case | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v6 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v7 |
| ef:activity/change/20260821T1302361922970000/231948 | properties | ef:agent/enrich_references | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v7 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v8 |
| ef:activity/change/20260821T1302361922970000/231949 | skos_definition | ef:agent/enrich_references | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v8 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v9 |
| ef:activity/change/20260821T1302361922970000/231950 | references | ef:agent/enrich_references | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v9 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v10 |
| ef:activity/change/20260821T1302361922970000/249687 | properties | ef:agent/rdkit_pre_consensus | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v10 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v11 |
| ef:activity/change/20260821T1302361922970000/255011 | altLabel | ef:agent/chebi_altlabels | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v11 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v12 |
| ef:activity/change/20260821T1302361922970000/272027 | prefLabel | ef:agent/consensus_match | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v12 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v13 |
| ef:activity/change/20260821T1302361922970000/272028 | altLabel | ef:agent/consensus_match | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v13 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v14 |
| ef:activity/change/20260821T1302361922970000/272029 | altLabel | ef:agent/consensus_match | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v14 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v15 |
| ef:activity/change/20260821T1302361922970000/272030 | cas_match_labels | ef:agent/consensus_match | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v15 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v16 |
| ef:activity/change/20260821T1302361922970000/274822 | properties | ef:agent/opsin_iupac | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v16 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v17 |
| ef:activity/change/20260821T1302361922970000/281293 | properties | ef:agent/rdkit_post_consensus | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v17 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v18 |
| ef:activity/change/20260821T1302361922970000/317700 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v18 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v19 |
| ef:activity/change/20260821T1302361922970000/389127 | properties | ef:agent/normalise_property_values | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v19 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v20 |
| ef:activity/change/20260821T1302361922970000/396152 | types | ef:agent/link_flows_to_their_substance | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v20 | ef:flow/371b277f-6d6a-43d8-8169-353ad6a87c5a/v21 |