Ethanethiol
Everything that changed this flow. Back to the flow
e2fa687c-6555-11dd-ad8b-0800200c9a66
By field
14 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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 93877' (registry code) |
| 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=ethanethiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-08-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-de207f9e6d1eafd4: {'75-08-1': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-08-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_46511']; candidate_pubchem_cids=[6343, 12688643]; selected_pubchem_cids=[6343]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 7,290 | bootstrap_labels | prefLabel | — | [{"@value":"ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 7,291 | bootstrap_labels | name | ethanethiol | — | Purged legacy name field to enforce prefLabel usage |
| 7,292 | bootstrap_labels | synonyms | ["1-Mercaptoethane","AC1L1MBI","AKOS000120313","Aethanethiol","Aethylmercaptan","CPD-10467","E0036","ETHYL MERCAPTAN","… | [] | Removed legacy synonyms field in favor of structured labels |
| 184,962 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 184,963 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,778 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,780 | normalize_name_case | prefLabel | [{"@value":"ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 234,176 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,177 | enrich_references | skos_definition | — | [{"@value":"An alkanethiol that is ethane substituted by a thiol group at position 1. It is added to odorless gaseous p… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,178 | enrich_references | references | [] | [{"@id":"agr:IND44053261","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['75-08-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_46511']; candidate_pubchem_cids=[6343, 12688643]; selected_pubchem_cids=[6343]; 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 |
| 250,340 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | rdkit_pre_consensus from 'CCS'; added: monoisotopic_mass |
| 255,330 | chebi_altlabels | altLabel | [] | [{"@value":"1-ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,779 | consensus_match | altLabel | [{"@value":"1-ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"1-ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | group_key=ethanethiol||dimension=Environmental > media=Air > strata=Unknown; cas=75-08-1; added Common Chemistry CAS names as altLabel: NSC 93877, Thioethanol, Thioethyl alcohol; object_uuid=fo-de207f9e6d1eafd4 |
| 266,780 | consensus_match | cas_match_labels | — | {"75-08-1":"exactMatch"} | group_key=ethanethiol||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-08-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-de207f9e6d1eafd4: {'75-08-1': 'exactMatch'} |
| 275,503 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethanethiol' |
| 282,022 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | rdkit_post_consensus from 'CCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,774 | strip_catalogue_altlabels | altLabel | [{"@value":"1-ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | [{"@value":"1-ethanethiol","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"c… | Removed 1 catalogue altLabel value(s): 'NSC 93877' (registry code) |
| 373,528 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fa687c-6555-… | associations resolved on the elementary layer |
| 389,817 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H6S"],"a… | typed the way the ontology types it |
| 397,131 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 397,132 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_25944","rdfs:label":"pesticide","http://www.w3.org/2004/02/skos/core#defi… | 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/20260820T0738569779880000/7290 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260820T0738569779880000/7291 | name | ef:agent/bootstrap_labels | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260820T0738569779880000/7292 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260820T0738569779880000/184962 | context | ef:agent/default_context_mapping | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260820T0738569779880000/184963 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260820T0738569779880000/215778 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260820T0738569779880000/222780 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260820T0738569779880000/234176 | properties | ef:agent/enrich_references | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260820T0738569779880000/234177 | skos_definition | ef:agent/enrich_references | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260820T0738569779880000/234178 | references | ef:agent/enrich_references | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260820T0738569779880000/250340 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260820T0738569779880000/255330 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260820T0738569779880000/266779 | altLabel | ef:agent/consensus_match | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260820T0738569779880000/266780 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260820T0738569779880000/275503 | properties | ef:agent/opsin_iupac | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260820T0738569779880000/282022 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260820T0738569779880000/288774 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260820T0738569779880000/373528 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260820T0738569779880000/389817 | properties | ef:agent/normalise_property_values | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260820T0738569779880000/397131 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260820T0738569779880000/397132 | roles | ef:agent/link_flows_to_their_substance | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v20 | ef:flow/e2fa687c-6555-11dd-ad8b-0800200c9a66/v21 |