Butanethiol
Everything that changed this flow. Back to the flow
96a96857-15b4-4b98-8b0a-ec754e63ebbc
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 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=109-79-5; cc_chebi_agreed_name='Butanethiol'; object_uuid=fo-68672f1669d6823b |
| cas_match_labels | 1 | consensus_match | group_key=butane-1-thiol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-79-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-68672f1669d6823b: {'109-79-5': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-79-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_177389']; candidate_pubchem_cids=[8012, 15970, 161780390]; selected_pubchem_cids=[8012]; 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 |
|---|---|---|---|---|---|
| 2,103 | bootstrap_labels | prefLabel | — | [{"@value":"butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 2,104 | bootstrap_labels | name | butane-1-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 2,105 | bootstrap_labels | synonyms | ["1-Butanethiol","1-Butyl mercaptan","1-Mercaptobutane","1-butanthiol","AC1L1Q29","AC1Q7GP6","B0685","BUTYL MERCAPTAN",… | [] | Removed legacy synonyms field in favor of structured labels |
| 139,312 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 139,313 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,040 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,578 | normalize_name_case | prefLabel | [{"@value":"butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,201 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10S"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,202 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,203 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.970D","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['109-79-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_177389']; candidate_pubchem_cids=[8012, 15970, 161780390]; selected_pubchem_cids=[8012]; 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 |
| 248,898 | 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 'CCCCS'; added: monoisotopic_mass |
| 264,548 | consensus_match | prefLabel | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Butanethiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"con… | cas=109-79-5; cc_chebi_agreed_name='Butanethiol'; object_uuid=fo-68672f1669d6823b |
| 264,549 | consensus_match | altLabel | [] | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | cas=109-79-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-68672f1669d6823b |
| 264,550 | consensus_match | altLabel | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | group_key=butane-1-thiol||dimension=Environmental > media=Water > water_body=Long-term; cas=109-79-5; added Common Chemistry CAS names as altLabel: 1-Butanethiol, 1-Butyl mercaptan, 1-Mercaptobutane, <em>n</em>-Butane-1-thiol, <em>n</em>-Butanethiol, <em>n</em>-Butyl mercaptan, <em>n</em>-Butyl thioalcohol, <em>n</em>-Butylthiol, Butyl mercaptan, Butylmercaptane, Butylthiol, Thiobutyl alcohol; object_uuid=fo-68672f1669d6823b |
| 264,551 | consensus_match | cas_match_labels | — | {"109-79-5":"exactMatch"} | group_key=butane-1-thiol||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-79-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-68672f1669d6823b: {'109-79-5': 'exactMatch'} |
| 274,019 | 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 'Butanethiol' |
| 280,424 | 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 'CCCCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,072 | dedupe_altlabels | altLabel | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | [{"@value":"Butane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 350,657 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/96a96857-15b4-… | associations resolved on the elementary layer |
| 388,309 | 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 |
| 394,986 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/2103 | prefLabel | ef:agent/bootstrap_labels | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v0 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v1 |
| ef:activity/change/20260821T1554374006150000/2104 | name | ef:agent/bootstrap_labels | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v1 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v2 |
| ef:activity/change/20260821T1554374006150000/2105 | synonyms | ef:agent/bootstrap_labels | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v2 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v3 |
| ef:activity/change/20260821T1554374006150000/139312 | context | ef:agent/default_context_mapping | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v3 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v4 |
| ef:activity/change/20260821T1554374006150000/139313 | context_iri | ef:agent/default_context_mapping | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v4 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v5 |
| ef:activity/change/20260821T1554374006150000/214040 | unit_iri | ef:agent/unit_normalization | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v5 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v6 |
| ef:activity/change/20260821T1554374006150000/221578 | prefLabel | ef:agent/normalize_name_case | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v6 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v7 |
| ef:activity/change/20260821T1554374006150000/229201 | properties | ef:agent/enrich_references | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v7 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v8 |
| ef:activity/change/20260821T1554374006150000/229202 | skos_definition | ef:agent/enrich_references | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v8 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v9 |
| ef:activity/change/20260821T1554374006150000/229203 | references | ef:agent/enrich_references | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v9 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v10 |
| ef:activity/change/20260821T1554374006150000/248898 | properties | ef:agent/rdkit_pre_consensus | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v10 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v11 |
| ef:activity/change/20260821T1554374006150000/264548 | prefLabel | ef:agent/consensus_match | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v11 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v12 |
| ef:activity/change/20260821T1554374006150000/264549 | altLabel | ef:agent/consensus_match | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v12 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v13 |
| ef:activity/change/20260821T1554374006150000/264550 | altLabel | ef:agent/consensus_match | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v13 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v14 |
| ef:activity/change/20260821T1554374006150000/264551 | cas_match_labels | ef:agent/consensus_match | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v14 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v15 |
| ef:activity/change/20260821T1554374006150000/274019 | properties | ef:agent/opsin_iupac | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v15 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v16 |
| ef:activity/change/20260821T1554374006150000/280424 | properties | ef:agent/rdkit_post_consensus | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v16 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v17 |
| ef:activity/change/20260821T1554374006150000/292072 | altLabel | ef:agent/dedupe_altlabels | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v17 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v18 |
| ef:activity/change/20260821T1554374006150000/350657 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v18 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v19 |
| ef:activity/change/20260821T1554374006150000/388309 | properties | ef:agent/normalise_property_values | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v19 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v20 |
| ef:activity/change/20260821T1554374006150000/394986 | types | ef:agent/link_flows_to_their_substance | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v20 | ef:flow/96a96857-15b4-4b98-8b0a-ec754e63ebbc/v21 |