Ethanethioic S-acid
Everything that changed this flow. Back to the flow
3f26016a-400a-4797-a97b-f5671a3483c0
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 | 2 | chebi_altlabels, consensus_match | group_key=ethanethioics-acid||dimension=Environmental > media=Water > water_body=Long-term; cas=507-09-5; added Common Chemistry CAS names as altLabel: Acetic acid, thio-, Ethanethioic acid, Ethanethiolic acid, Methanecarbothiolic acid, Monothioacetic acid, Thiacetic acid, Thiolacetic acid, Thionoacetic acid; object_uuid=fo-e39886a6daf8d7b1 |
| 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=ethanethioics-acid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'507-09-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e39886a6daf8d7b1: {'507-09-5': '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 soil > Emissions to non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['507-09-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16555']; candidate_pubchem_cids=[887, 10484, 80308, 3815167, 87242003]; selected_pubchem_cids=[10484]; 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 |
|---|---|---|---|---|---|
| 19,046 | bootstrap_labels | prefLabel | — | [{"@value":"ethanethioic s-acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Bootstrapped prefLabel from legacy name field |
| 19,047 | bootstrap_labels | name | ethanethioic s-acid | — | Purged legacy name field to enforce prefLabel usage |
| 19,048 | bootstrap_labels | synonyms | ["organic","thioaceticacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 79,072 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 79,073 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,549 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,426 | normalize_name_case | prefLabel | [{"@value":"ethanethioic s-acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | [{"@value":"Ethanethioic S-acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribute… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,915 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,916 | enrich_references | skos_definition | — | [{"@value":"A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,917 | enrich_references | references | [] | [{"@id":"gmelin:49262","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['507-09-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16555']; candidate_pubchem_cids=[887, 10484, 80308, 3815167, 87242003]; selected_pubchem_cids=[10484]; 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 |
| 253,426 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | rdkit_pre_consensus from 'CC(=O)S'; added: monoisotopic_mass |
| 256,865 | chebi_altlabels | altLabel | [] | [{"@value":"CH3COSH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,760 | consensus_match | altLabel | [{"@value":"CH3COSH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"CH3COSH","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=ethanethioics-acid||dimension=Environmental > media=Water > water_body=Long-term; cas=507-09-5; added Common Chemistry CAS names as altLabel: Acetic acid, thio-, Ethanethioic acid, Ethanethiolic acid, Methanecarbothiolic acid, Monothioacetic acid, Thiacetic acid, Thiolacetic acid, Thionoacetic acid; object_uuid=fo-e39886a6daf8d7b1 |
| 266,761 | consensus_match | cas_match_labels | — | {"507-09-5":"exactMatch"} | group_key=ethanethioics-acid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'507-09-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e39886a6daf8d7b1: {'507-09-5': 'exactMatch'} |
| 278,639 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethanethioic S-acid' |
| 285,417 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | rdkit_post_consensus from 'CC(=O)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 320,550 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3f26016a-400a-… | associations resolved on the elementary layer |
| 393,004 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4OS"],"… | typed the way the ontology types it |
| 401,751 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260822T0600486828500000/19046 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v0 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v1 |
| ef:activity/change/20260822T0600486828500000/19047 | name | ef:agent/bootstrap_labels | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v1 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v2 |
| ef:activity/change/20260822T0600486828500000/19048 | synonyms | ef:agent/bootstrap_labels | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v2 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v3 |
| ef:activity/change/20260822T0600486828500000/79072 | context | ef:agent/default_context_mapping | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v3 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v4 |
| ef:activity/change/20260822T0600486828500000/79073 | context_iri | ef:agent/default_context_mapping | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v4 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v5 |
| ef:activity/change/20260822T0600486828500000/219549 | unit_iri | ef:agent/unit_normalization | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v5 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v6 |
| ef:activity/change/20260822T0600486828500000/225426 | prefLabel | ef:agent/normalize_name_case | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v6 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v7 |
| ef:activity/change/20260822T0600486828500000/244915 | properties | ef:agent/enrich_references | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v7 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v8 |
| ef:activity/change/20260822T0600486828500000/244916 | skos_definition | ef:agent/enrich_references | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v8 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v9 |
| ef:activity/change/20260822T0600486828500000/244917 | references | ef:agent/enrich_references | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v9 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v10 |
| ef:activity/change/20260822T0600486828500000/253426 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v10 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v11 |
| ef:activity/change/20260822T0600486828500000/256865 | altLabel | ef:agent/chebi_altlabels | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v11 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v12 |
| ef:activity/change/20260822T0600486828500000/266760 | altLabel | ef:agent/consensus_match | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v12 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v13 |
| ef:activity/change/20260822T0600486828500000/266761 | cas_match_labels | ef:agent/consensus_match | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v13 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v14 |
| ef:activity/change/20260822T0600486828500000/278639 | properties | ef:agent/opsin_iupac | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v14 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v15 |
| ef:activity/change/20260822T0600486828500000/285417 | properties | ef:agent/rdkit_post_consensus | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v15 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v16 |
| ef:activity/change/20260822T0600486828500000/320550 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v16 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v17 |
| ef:activity/change/20260822T0600486828500000/393004 | properties | ef:agent/normalise_property_values | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v17 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v18 |
| ef:activity/change/20260822T0600486828500000/401751 | types | ef:agent/link_flows_to_their_substance | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v18 | ef:flow/3f26016a-400a-4797-a97b-f5671a3483c0/v19 |