3-(triethoxysilyl)propane-1-thiol
Everything that changed this flow. Back to the flow
05da2ccb-ebf0-41f7-b588-71ad0b24e5f7
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 10 catalogue altLabel value(s): 'A 1891' (grade code), 'DB 580' (grade code), 'Dynasylan 3201' (trade name), 'HD 113' (grade code), 'KH 580' (grade code), 'LMD 81' (grade code), 'M 1505' (grade code), 'Si 263' (grade code), 'USi 5302' (grade code), 'Z 6910' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=3-(triethoxysilyl)propane-1-thiol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'14814-09-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa5dd0605173c08d: {'14814-09-6': '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 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=['14814-09-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[73827, 84658]; selected_pubchem_cids=[84658]; 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 |
|---|---|---|---|---|---|
| 4,853 | bootstrap_labels | prefLabel | — | [{"@value":"3-(triethoxysilyl)propane-1-thiol","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 4,854 | bootstrap_labels | name | 3-(triethoxysilyl)propane-1-thiol | — | Purged legacy name field to enforce prefLabel usage |
| 4,855 | bootstrap_labels | synonyms | ["organometallic","3-(triethoxysilyl)propanethiol","a-1891","mptes","si263"] | [] | Removed legacy synonyms field in favor of structured labels |
| 30,230 | 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 |
| 30,231 | 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 |
| 214,960 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 231,840 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,841 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,842 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J227.201F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['14814-09-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[73827, 84658]; selected_pubchem_cids=[84658]; 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 |
| 249,654 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | rdkit_pre_consensus from 'CCO[Si](CCCS)(OCC)OCC'; added: molecular_mass, monoisotopic_mass |
| 261,825 | consensus_match | altLabel | [] | [{"@value":"(3-Mercaptopropyl)triethoxysilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | group_key=3-(triethoxysilyl)propane-1-thiol||dimension=Environmental > media=Ground > geography=Unknown; cas=14814-09-6; added Common Chemistry CAS names as altLabel: (3-Mercaptopropyl)triethoxysilane, (3-Thiopropyl)triethoxysilane, (γ-Mercaptopropyl)triethoxysilane, 1-Propanethiol, 3-(triethoxysilyl)-, 3-(Triethoxysilyl)-1-propanethiol, 3-(Triethoxysilyl)propyl mercaptan, A 1891, CG-S 323, DB 580, Dynasylan 3201, HD 113, JH-S 1891, KH 580, LMD 81, M 1505, MPTES, Si 263, SiSiB PC 2310, Silquest A 1891, Triethoxy(3-mercaptopropyl)silane, USi 5302, VP-Si 263, Z 6910; object_uuid=fo-aa5dd0605173c08d |
| 261,826 | consensus_match | cas_match_labels | — | {"14814-09-6":"exactMatch"} | group_key=3-(triethoxysilyl)propane-1-thiol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'14814-09-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aa5dd0605173c08d: {'14814-09-6': 'exactMatch'} |
| 274,787 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(triethoxysilyl)propane-1-thiol' |
| 281,257 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | rdkit_post_consensus from 'CCO[Si](CCCS)(OCC)OCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,252 | strip_catalogue_altlabels | altLabel | [{"@value":"(3-Mercaptopropyl)triethoxysilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | [{"@value":"(3-Mercaptopropyl)triethoxysilane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov… | Removed 10 catalogue altLabel value(s): 'A 1891' (grade code), 'DB 580' (grade code), 'Dynasylan 3201' (trade name), 'HD 113' (grade code), 'KH 580' (grade code), 'LMD 81' (grade code), 'M 1505' (grade code), 'Si 263' (grade code), 'USi 5302' (grade code), 'Z 6910' (grade code) |
| 296,154 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/05da2ccb-ebf0-… | associations resolved on the elementary layer |
| 389,096 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H22O3SSi… | typed the way the ontology types it |
| 396,109 | 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/20260821T1302361922970000/4853 | prefLabel | ef:agent/bootstrap_labels | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v0 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v1 |
| ef:activity/change/20260821T1302361922970000/4854 | name | ef:agent/bootstrap_labels | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v1 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v2 |
| ef:activity/change/20260821T1302361922970000/4855 | synonyms | ef:agent/bootstrap_labels | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v2 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v3 |
| ef:activity/change/20260821T1302361922970000/30230 | context | ef:agent/default_context_mapping | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v3 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v4 |
| ef:activity/change/20260821T1302361922970000/30231 | context_iri | ef:agent/default_context_mapping | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v4 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v5 |
| ef:activity/change/20260821T1302361922970000/214960 | unit_iri | ef:agent/unit_normalization | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v5 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v6 |
| ef:activity/change/20260821T1302361922970000/231840 | properties | ef:agent/enrich_references | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v6 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v7 |
| ef:activity/change/20260821T1302361922970000/231841 | skos_definition | ef:agent/enrich_references | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v7 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v8 |
| ef:activity/change/20260821T1302361922970000/231842 | references | ef:agent/enrich_references | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v8 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v9 |
| ef:activity/change/20260821T1302361922970000/249654 | properties | ef:agent/rdkit_pre_consensus | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v9 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v10 |
| ef:activity/change/20260821T1302361922970000/261825 | altLabel | ef:agent/consensus_match | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v10 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v11 |
| ef:activity/change/20260821T1302361922970000/261826 | cas_match_labels | ef:agent/consensus_match | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v11 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v12 |
| ef:activity/change/20260821T1302361922970000/274787 | properties | ef:agent/opsin_iupac | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v12 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v13 |
| ef:activity/change/20260821T1302361922970000/281257 | properties | ef:agent/rdkit_post_consensus | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v13 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v14 |
| ef:activity/change/20260821T1302361922970000/288252 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v14 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v15 |
| ef:activity/change/20260821T1302361922970000/296154 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v15 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v16 |
| ef:activity/change/20260821T1302361922970000/389096 | properties | ef:agent/normalise_property_values | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v16 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v17 |
| ef:activity/change/20260821T1302361922970000/396109 | types | ef:agent/link_flows_to_their_substance | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v17 | ef:flow/05da2ccb-ebf0-41f7-b588-71ad0b24e5f7/v18 |