Ammonium thioglycolate
Everything that changed this flow. Back to the flow
2bd8468b-7630-4257-92f9-8b738250e820
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=ammoniumsulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=5421-46-5; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, ammonium salt (1:1), Acetic acid, mercapto-, monoammonium salt, Ammonium thioglycollate, Thiofaco A-50; object_uuid=fo-5c07a4fb41b9af87 |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=5421-46-5; cc_chebi_agreed_name='Ammonium thioglycolate'; object_uuid=fo-5c07a4fb41b9af87 |
| cas_match_labels | 1 | consensus_match | group_key=ammoniumsulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5421-46-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5c07a4fb41b9af87: {'5421-46-5': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, 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=['5421-46-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_156555']; candidate_pubchem_cids=[21534, 16211171, 22177650]; selected_pubchem_cids=[21534]; 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 |
|---|---|---|---|---|---|
| 3,026 | bootstrap_labels | prefLabel | — | [{"@value":"ammonium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 3,027 | bootstrap_labels | name | ammonium sulfanylacetate | — | Purged legacy name field to enforce prefLabel usage |
| 3,028 | bootstrap_labels | synonyms | ["organic","ammoniummercaptoacetate","ammoniumthioglycolate59%(50%tga)","ammoniumthioglycolate59%(50%tga)lowodor","ammo… | [] | Removed legacy synonyms field in favor of structured labels |
| 66,058 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 66,059 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,349 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,783 | normalize_name_case | prefLabel | [{"@value":"ammonium sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Ammonium Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,086 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,087 | enrich_references | skos_definition | — | [{"@value":"An organic ammonium salt having thioglycolate(1−) as the counterion. Also known as perm salt, it has use in… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,088 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.024.128","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['5421-46-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_156555']; candidate_pubchem_cids=[21534, 16211171, 22177650]; selected_pubchem_cids=[21534]; 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 |
| 249,156 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | rdkit_pre_consensus from 'C(C(=O)[O-])S.[NH4+]'; added: monoisotopic_mass |
| 254,722 | chebi_altlabels | altLabel | [] | [{"@value":"Ammonium mercaptoacetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | Added 3 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,845 | consensus_match | prefLabel | [{"@value":"Ammonium Sulfanylacetate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Ammonium thioglycolate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | cas=5421-46-5; cc_chebi_agreed_name='Ammonium thioglycolate'; object_uuid=fo-5c07a4fb41b9af87 |
| 263,846 | consensus_match | altLabel | [{"@value":"Ammonium mercaptoacetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Ammonium mercaptoacetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | cas=5421-46-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-5c07a4fb41b9af87 |
| 263,847 | consensus_match | altLabel | [{"@value":"Ammonium mercaptoacetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | [{"@value":"Ammonium mercaptoacetate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttri… | group_key=ammoniumsulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; cas=5421-46-5; added Common Chemistry CAS names as altLabel: Acetic acid, 2-mercapto-, ammonium salt (1:1), Acetic acid, mercapto-, monoammonium salt, Ammonium thioglycollate, Thiofaco A-50; object_uuid=fo-5c07a4fb41b9af87 |
| 263,848 | consensus_match | cas_match_labels | — | {"5421-46-5":"exactMatch"} | group_key=ammoniumsulfanylacetate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5421-46-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5c07a4fb41b9af87: {'5421-46-5': 'exactMatch'} |
| 274,272 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ammonium thioglycolate' |
| 280,701 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | rdkit_post_consensus from 'O=C([O-])CS.[NH4+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 314,046 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2bd8468b-7630-… | associations resolved on the elementary layer |
| 388,568 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H3O2S.H4… | typed the way the ontology types it |
| 395,362 | 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/20260821T1554374006150000/3026 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v0 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v1 |
| ef:activity/change/20260821T1554374006150000/3027 | name | ef:agent/bootstrap_labels | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v1 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v2 |
| ef:activity/change/20260821T1554374006150000/3028 | synonyms | ef:agent/bootstrap_labels | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v2 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v3 |
| ef:activity/change/20260821T1554374006150000/66058 | context | ef:agent/default_context_mapping | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v3 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v4 |
| ef:activity/change/20260821T1554374006150000/66059 | context_iri | ef:agent/default_context_mapping | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v4 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v5 |
| ef:activity/change/20260821T1554374006150000/214349 | unit_iri | ef:agent/unit_normalization | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v5 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v6 |
| ef:activity/change/20260821T1554374006150000/221783 | prefLabel | ef:agent/normalize_name_case | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v6 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v7 |
| ef:activity/change/20260821T1554374006150000/230086 | properties | ef:agent/enrich_references | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v7 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v8 |
| ef:activity/change/20260821T1554374006150000/230087 | skos_definition | ef:agent/enrich_references | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v8 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v9 |
| ef:activity/change/20260821T1554374006150000/230088 | references | ef:agent/enrich_references | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v9 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v10 |
| ef:activity/change/20260821T1554374006150000/249156 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v10 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v11 |
| ef:activity/change/20260821T1554374006150000/254722 | altLabel | ef:agent/chebi_altlabels | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v11 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v12 |
| ef:activity/change/20260821T1554374006150000/263845 | prefLabel | ef:agent/consensus_match | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v12 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v13 |
| ef:activity/change/20260821T1554374006150000/263846 | altLabel | ef:agent/consensus_match | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v13 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v14 |
| ef:activity/change/20260821T1554374006150000/263847 | altLabel | ef:agent/consensus_match | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v14 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v15 |
| ef:activity/change/20260821T1554374006150000/263848 | cas_match_labels | ef:agent/consensus_match | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v15 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v16 |
| ef:activity/change/20260821T1554374006150000/274272 | properties | ef:agent/opsin_iupac | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v16 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v17 |
| ef:activity/change/20260821T1554374006150000/280701 | properties | ef:agent/rdkit_post_consensus | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v17 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v18 |
| ef:activity/change/20260821T1554374006150000/314046 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v18 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v19 |
| ef:activity/change/20260821T1554374006150000/388568 | properties | ef:agent/normalise_property_values | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v19 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v20 |
| ef:activity/change/20260821T1554374006150000/395362 | types | ef:agent/link_flows_to_their_substance | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v20 | ef:flow/2bd8468b-7630-4257-92f9-8b738250e820/v21 |