2-methylpropane-2-thiol
Everything that changed this flow. Back to the flow
093216ae-b3c5-45ad-b568-44fa93193ab4
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 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpropane-2-thiol||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'75-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-737a23aaa9915022: {'75-66-1': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-66-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6387, 99275]; selected_pubchem_cids=[6387]; 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 |
|---|---|---|---|---|---|
| 2,121 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpropane-2-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 2,122 | bootstrap_labels | name | 2-methylpropane-2-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 2,123 | bootstrap_labels | synonyms | ["organic","2-methylpropane-2-thiol"] | [] | Removed legacy synonyms field in favor of structured labels |
| 41,996 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 41,997 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 214,046 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 229,219 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,220 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,221 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.161K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['75-66-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[6387, 99275]; selected_pubchem_cids=[6387]; 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 |
| 248,904 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | rdkit_pre_consensus from 'CC(C)(C)S'; added: molecular_mass, monoisotopic_mass |
| 261,180 | consensus_match | altLabel | [] | [{"@value":"1,1-Dimethylethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=2-methylpropane-2-thiol||dimension=Environmental > media=Air > strata=Long-term; cas=75-66-1; added Common Chemistry CAS names as altLabel: 1,1-Dimethylethanethiol, 2-Isobutanethiol, 2-Methyl-2-propanethiol, 2-Propanethiol, 2-methyl-, <em>t</em>-Butanethiol, <em>t</em>-Butylmercaptan, <em>t</em>-Butylthiol, <em>tert</em>-Butanethiol, <em>tert</em>-Butyl mercaptan, <em>tert</em>-Butylthiol, TBM; object_uuid=fo-737a23aaa9915022 |
| 261,181 | consensus_match | cas_match_labels | — | {"75-66-1":"exactMatch"} | group_key=2-methylpropane-2-thiol||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'75-66-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-737a23aaa9915022: {'75-66-1': 'exactMatch'} |
| 274,024 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpropane-2-thiol' |
| 280,430 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | rdkit_post_consensus from 'CC(C)(C)S'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,074 | dedupe_altlabels | altLabel | [{"@value":"1,1-Dimethylethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"1,1-Dimethylethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Deduplicated altLabel values and removed entries matching prefLabel |
| 302,023 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/093216ae-b3c5-… | associations resolved on the elementary layer |
| 388,313 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | typed the way the ontology types it |
| 394,992 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1302361922970000/2121 | prefLabel | ef:agent/bootstrap_labels | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v0 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v1 |
| ef:activity/change/20260821T1302361922970000/2122 | name | ef:agent/bootstrap_labels | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v1 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v2 |
| ef:activity/change/20260821T1302361922970000/2123 | synonyms | ef:agent/bootstrap_labels | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v2 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v3 |
| ef:activity/change/20260821T1302361922970000/41996 | context | ef:agent/default_context_mapping | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v3 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v4 |
| ef:activity/change/20260821T1302361922970000/41997 | context_iri | ef:agent/default_context_mapping | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v4 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v5 |
| ef:activity/change/20260821T1302361922970000/214046 | unit_iri | ef:agent/unit_normalization | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v5 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v6 |
| ef:activity/change/20260821T1302361922970000/229219 | properties | ef:agent/enrich_references | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v6 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v7 |
| ef:activity/change/20260821T1302361922970000/229220 | skos_definition | ef:agent/enrich_references | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v7 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v8 |
| ef:activity/change/20260821T1302361922970000/229221 | references | ef:agent/enrich_references | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v8 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v9 |
| ef:activity/change/20260821T1302361922970000/248904 | properties | ef:agent/rdkit_pre_consensus | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v9 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v10 |
| ef:activity/change/20260821T1302361922970000/261180 | altLabel | ef:agent/consensus_match | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v10 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v11 |
| ef:activity/change/20260821T1302361922970000/261181 | cas_match_labels | ef:agent/consensus_match | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v11 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v12 |
| ef:activity/change/20260821T1302361922970000/274024 | properties | ef:agent/opsin_iupac | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v12 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v13 |
| ef:activity/change/20260821T1302361922970000/280430 | properties | ef:agent/rdkit_post_consensus | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v13 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v14 |
| ef:activity/change/20260821T1302361922970000/292074 | altLabel | ef:agent/dedupe_altlabels | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v14 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v15 |
| ef:activity/change/20260821T1302361922970000/302023 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v15 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v16 |
| ef:activity/change/20260821T1302361922970000/388313 | properties | ef:agent/normalise_property_values | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v16 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v17 |
| ef:activity/change/20260821T1302361922970000/394992 | types | ef:agent/link_flows_to_their_substance | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v17 | ef:flow/093216ae-b3c5-45ad-b568-44fa93193ab4/v18 |