Phosphorothioic Trichloride
Everything that changed this flow. Back to the flow
753bc07c-0646-4c19-9370-8cfb4ace740a
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 1 catalogue altLabel value(s): 'NSC 158334' (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=phosphorothioictrichloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3982-91-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7ff6f51b1a7d103c: {'3982-91-0': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3982-91-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[19883, 18411367]; selected_pubchem_cids=[19883]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,074 | bootstrap_labels | prefLabel | — | [{"@value":"phosphorothioic trichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 15,075 | bootstrap_labels | name | phosphorothioic trichloride | — | Purged legacy name field to enforce prefLabel usage |
| 15,076 | bootstrap_labels | synonyms | ["inorganic","thiophosphoryltrichloride","phosphorsulfochlorid","thiophosphorylchlorid","thiophosphorylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 119,584 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 119,585 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 218,305 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,570 | normalize_name_case | prefLabel | [{"@value":"phosphorothioic trichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Phosphorothioic Trichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 241,422 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 241,423 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 241,424 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.077B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['3982-91-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[19883, 18411367]; selected_pubchem_cids=[19883]; 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 |
| 252,421 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | rdkit_pre_consensus from 'P(=S)(Cl)(Cl)Cl'; added: molecular_mass, monoisotopic_mass |
| 270,710 | consensus_match | altLabel | [] | [{"@value":"NSC 158334","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | group_key=phosphorothioictrichloride||dimension=Environmental > media=Water > water_body=Ocean; cas=3982-91-0; added Common Chemistry CAS names as altLabel: NSC 158334, Phosphorothionic trichloride, Phosphorus chloride sulfide (PCl<sub>3</sub>S), Phosphorus sulfide trichloride, Phosphorus sulfochloride, Phosphorus thiochloride, Phosphorus thiotrichloride, Phosphorus trichloride sulfide, Phosphorus trichloride sulfide (PCl<sub>3</sub>S), Thiophosphoric acid trichloride, Thiophosphoric trichloride, Thiophosphoryl chloride, Thiophosphoryl chloride (PSCl<sub>3</sub>), Thiophosphoryl trichloride, Trichlorophosphine sulfide, Trichlorophosphorus thioxide; object_uuid=fo-7ff6f51b1a7d103c |
| 270,711 | consensus_match | cas_match_labels | — | {"3982-91-0":"exactMatch"} | group_key=phosphorothioictrichloride||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3982-91-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7ff6f51b1a7d103c: {'3982-91-0': 'exactMatch'} |
| 277,614 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphorothioic Trichloride' |
| 284,313 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | rdkit_post_consensus from 'S=P(Cl)(Cl)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,333 | strip_catalogue_altlabels | altLabel | [{"@value":"NSC 158334","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | [{"@value":"Phosphorothionic trichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 158334' (registry code) |
| 340,790 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/753bc07c-0646-… | associations resolved on the elementary layer |
| 391,970 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl3PS"],"a… | typed the way the ontology types it |
| 400,240 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/15074 | prefLabel | ef:agent/bootstrap_labels | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v0 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v1 |
| ef:activity/change/20260821T1554374006150000/15075 | name | ef:agent/bootstrap_labels | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v1 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v2 |
| ef:activity/change/20260821T1554374006150000/15076 | synonyms | ef:agent/bootstrap_labels | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v2 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v3 |
| ef:activity/change/20260821T1554374006150000/119584 | context | ef:agent/default_context_mapping | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v3 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v4 |
| ef:activity/change/20260821T1554374006150000/119585 | context_iri | ef:agent/default_context_mapping | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v4 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v5 |
| ef:activity/change/20260821T1554374006150000/218305 | unit_iri | ef:agent/unit_normalization | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v5 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v6 |
| ef:activity/change/20260821T1554374006150000/224570 | prefLabel | ef:agent/normalize_name_case | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v6 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v7 |
| ef:activity/change/20260821T1554374006150000/241422 | properties | ef:agent/enrich_references | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v7 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v8 |
| ef:activity/change/20260821T1554374006150000/241423 | skos_definition | ef:agent/enrich_references | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v8 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v9 |
| ef:activity/change/20260821T1554374006150000/241424 | references | ef:agent/enrich_references | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v9 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v10 |
| ef:activity/change/20260821T1554374006150000/252421 | properties | ef:agent/rdkit_pre_consensus | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v10 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v11 |
| ef:activity/change/20260821T1554374006150000/270710 | altLabel | ef:agent/consensus_match | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v11 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v12 |
| ef:activity/change/20260821T1554374006150000/270711 | cas_match_labels | ef:agent/consensus_match | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v12 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v13 |
| ef:activity/change/20260821T1554374006150000/277614 | properties | ef:agent/opsin_iupac | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v13 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v14 |
| ef:activity/change/20260821T1554374006150000/284313 | properties | ef:agent/rdkit_post_consensus | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v14 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v15 |
| ef:activity/change/20260821T1554374006150000/290333 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v15 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v16 |
| ef:activity/change/20260821T1554374006150000/340790 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v16 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v17 |
| ef:activity/change/20260821T1554374006150000/391970 | properties | ef:agent/normalise_property_values | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v17 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v18 |
| ef:activity/change/20260821T1554374006150000/400240 | types | ef:agent/link_flows_to_their_substance | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v18 | ef:flow/753bc07c-0646-4c19-9370-8cfb4ace740a/v19 |