2,3-bis((2-mercaptoethyl)thio)-1-propanethiol
Everything that changed this flow. Back to the flow
48e5b891-e39b-4d43-8e09-2391a4e4546d
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, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'Jingbo 501' (trade name), 'MR 7B' (grade code), 'Polythiol 501' (trade name) |
| cas_match_labels | 1 | consensus_match | group_key=2,3-bis((2-mercaptoethyl)thio)-1-propanethiol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'131538-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f4152c84d5e5e09: {'131538-00-6': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['131538-00-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[21900456]; selected_pubchem_cids=[21900456]; 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 |
|---|---|---|---|---|---|
| 17,248 | bootstrap_labels | prefLabel | — | [{"@value":"2,3-bis((2-mercaptoethyl)thio)-1-propanethiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Bootstrapped prefLabel from legacy name field |
| 17,249 | bootstrap_labels | name | 2,3-bis((2-mercaptoethyl)thio)-1-propanethiol | — | Purged legacy name field to enforce prefLabel usage |
| 17,250 | bootstrap_labels | synonyms | ["organic","2,3-bis((2-mercaptoethyl)thio)-1-propanethiol","thiocuredmpt"] | [] | Removed legacy synonyms field in favor of structured labels |
| 84,603 | 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) |
| 84,604 | 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) |
| 218,994 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 243,362 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,363 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,364 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J446.534B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['131538-00-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[21900456]; selected_pubchem_cids=[21900456]; 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 |
| 252,982 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | rdkit_pre_consensus from 'C(CSCC(CS)SCCS)S'; added: molecular_mass, monoisotopic_mass |
| 259,756 | consensus_match | altLabel | [] | [{"@value":"1,2-Bis[(2-mercaptoethyl)thio]-3-mercaptopropane","@language":"en","source":{"prov:wasGeneratedBy":"consens… | group_key=2,3-bis((2-mercaptoethyl)thio)-1-propanethiol||dimension=Environmental > media=Air > indoor=Unknown; cas=131538-00-6; added Common Chemistry CAS names as altLabel: 1,2-Bis[(2-mercaptoethyl)thio]-3-mercaptopropane, 1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-, 2,3-Bis(2-Mercaptoethylthio)propan-1-thiol, 2,3-Bis(2-mercaptoethylthio)-3-propane-1-thiol, 2,3-Bis(2-sulfanylethylsulfanyl)propane-1-thiol, 2,3-Bis[(2-mercaptoethyl)thio]-1-propanethiol, 2,3-Di[(2-mercaptoethyl)thio]-1-propanethiol, 4-(Mercaptomethyl)-1,8-dimercapto-3,6-dithiaoctane, 4-(Mercaptomethyl)-3,6-dithia-1,8-octanedithiol, GST, Jingbo 501, MR 7B, Polythiol 501, Thiocure DMPT; object_uuid=fo-7f4152c84d5e5e09 |
| 259,757 | consensus_match | cas_match_labels | — | {"131538-00-6":"exactMatch"} | group_key=2,3-bis((2-mercaptoethyl)thio)-1-propanethiol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'131538-00-6': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f4152c84d5e5e09: {'131538-00-6': 'exactMatch'} |
| 278,185 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3-bis((2-mercaptoethyl)thio)-1-propanethiol' |
| 284,926 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | rdkit_post_consensus from 'SCCSCC(CS)SCCS'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,763 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Bis[(2-mercaptoethyl)thio]-3-mercaptopropane","@language":"en","source":{"prov:wasGeneratedBy":"consens… | [{"@value":"1,2-Bis[(2-mercaptoethyl)thio]-3-mercaptopropane","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 3 catalogue altLabel value(s): 'Jingbo 501' (trade name), 'MR 7B' (grade code), 'Polythiol 501' (trade name) |
| 323,353 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/48e5b891-e39b-… | associations resolved on the elementary layer |
| 392,562 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H16S5"],… | typed the way the ontology types it |
| 401,080 | 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/20260920T1042228874600000/17248 | prefLabel | ef:agent/bootstrap_labels | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v0 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v1 |
| ef:activity/change/20260920T1042228874600000/17249 | name | ef:agent/bootstrap_labels | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v1 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v2 |
| ef:activity/change/20260920T1042228874600000/17250 | synonyms | ef:agent/bootstrap_labels | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v2 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v3 |
| ef:activity/change/20260920T1042228874600000/84603 | context | ef:agent/default_context_mapping | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v3 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v4 |
| ef:activity/change/20260920T1042228874600000/84604 | context_iri | ef:agent/default_context_mapping | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v4 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v5 |
| ef:activity/change/20260920T1042228874600000/218994 | unit_iri | ef:agent/unit_normalization | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v5 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v6 |
| ef:activity/change/20260920T1042228874600000/243362 | properties | ef:agent/enrich_references | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v6 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v7 |
| ef:activity/change/20260920T1042228874600000/243363 | skos_definition | ef:agent/enrich_references | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v7 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v8 |
| ef:activity/change/20260920T1042228874600000/243364 | references | ef:agent/enrich_references | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v8 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v9 |
| ef:activity/change/20260920T1042228874600000/252982 | properties | ef:agent/rdkit_pre_consensus | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v9 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v10 |
| ef:activity/change/20260920T1042228874600000/259756 | altLabel | ef:agent/consensus_match | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v10 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v11 |
| ef:activity/change/20260920T1042228874600000/259757 | cas_match_labels | ef:agent/consensus_match | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v11 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v12 |
| ef:activity/change/20260920T1042228874600000/278185 | properties | ef:agent/opsin_iupac | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v12 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v13 |
| ef:activity/change/20260920T1042228874600000/284926 | properties | ef:agent/rdkit_post_consensus | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v13 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v14 |
| ef:activity/change/20260920T1042228874600000/290763 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v14 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v15 |
| ef:activity/change/20260920T1042228874600000/323353 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v15 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v16 |
| ef:activity/change/20260920T1042228874600000/392562 | properties | ef:agent/normalise_property_values | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v16 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v17 |
| ef:activity/change/20260920T1042228874600000/401080 | types | ef:agent/link_flows_to_their_substance | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v17 | ef:flow/48e5b891-e39b-4d43-8e09-2391a4e4546d/v18 |