O,o,o-tris-(4-isocyanatophenyl) Thiophosphate
Everything that changed this flow. Back to the flow
91fe6a19-82d2-4502-825f-6621ff68f1f3
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 2 catalogue altLabel value(s): 'DTXSID9063320' (registry code), 'JQ 4' (grade 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=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'4151-51-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6cd4eea93ba4e4a: {'4151-51-3': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4151-51-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[77798, 97307, 57349859]; selected_pubchem_cids=[77798]; 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 |
|---|---|---|---|---|---|
| 2,079 | bootstrap_labels | prefLabel | — | [{"@value":"o,o,o-tris-(4-isocyanatophenyl) thiophosphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Bootstrapped prefLabel from legacy name field |
| 2,080 | bootstrap_labels | name | o,o,o-tris-(4-isocyanatophenyl) thiophosphate | — | Purged legacy name field to enforce prefLabel usage |
| 2,081 | bootstrap_labels | synonyms | ["organic","tris(p-isocyanatophenyl)thiophosphate","desmodurrfe"] | [] | Removed legacy synonyms field in favor of structured labels |
| 136,488 | 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) |
| 136,489 | 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) |
| 214,032 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,570 | normalize_name_case | prefLabel | [{"@value":"o,o,o-tris-(4-isocyanatophenyl) thiophosphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | [{"@value":"O,o,o-tris-(4-isocyanatophenyl) Thiophosphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,179 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,180 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,181 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J224.954E","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['4151-51-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[77798, 97307, 57349859]; selected_pubchem_cids=[77798]; 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 |
| 248,893 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | rdkit_pre_consensus from 'C1=CC(=CC=C1N=C=O)OP(=S)(OC2=CC=C(C=C2)N=C=O)OC3=CC=C(C=C3)N=C=O'; added: molecular_mass, monoisotopic_mass |
| 269,982 | consensus_match | altLabel | [] | [{"@value":"DTXSID9063320","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | group_key=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; cas=4151-51-3; added Common Chemistry CAS names as altLabel: DTXSID9063320, Isocyanic acid, <em>p</em>-hydroxyphenyl ester, phosphorothioate (3:1) (ester), JQ 4, Phenol, 4-isocyanato-, 1,1′,1′′-phosphorothioate, Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester), Phenol, <em>p</em>-isocyanato-, phosphorothioate (3:1) (ester), Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-tris(<em>p</em>-isocyanatophenyl) ester, Thiophosphoric acid tris(<em>p</em>-isocyanatophenyl ester), Tri(4-phenyl isocyanate) thiophosphate, Tris(4-isocyanatophenyl) thiophosphate, Tris(<em>p</em>-isocyanatophenyl) monosulfophosphate, Tris(<em>p</em>-isocyanatophenyl) thiophosphate; object_uuid=fo-c6cd4eea93ba4e4a |
| 269,983 | consensus_match | cas_match_labels | — | {"4151-51-3":"exactMatch"} | group_key=o,o,o-tris-(4-isocyanatophenyl)thiophosphate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory']; cas_sources={'4151-51-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6cd4eea93ba4e4a: {'4151-51-3': 'exactMatch'} |
| 274,014 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphorothioic acid, O,O,O-tris(p-isocyanatophenyl) ester' |
| 280,418 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | rdkit_post_consensus from 'O=C=Nc1ccc(OP(=S)(Oc2ccc(N=C=O)cc2)Oc2ccc(N=C=O)cc2)cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,670 | strip_catalogue_altlabels | altLabel | [{"@value":"DTXSID9063320","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | [{"@value":"Isocyanic acid, p-hydroxyphenyl ester, phosphorothioate (3:1) (ester)","@language":"en","source":{"prov:was… | Removed 2 catalogue altLabel value(s): 'DTXSID9063320' (registry code), 'JQ 4' (grade code) |
| 349,240 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/91fe6a19-82d2-… | associations resolved on the elementary layer |
| 388,305 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C21H12N3O6… | typed the way the ontology types it |
| 394,978 | 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/20260822T0600486828500000/2079 | prefLabel | ef:agent/bootstrap_labels | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v0 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v1 |
| ef:activity/change/20260822T0600486828500000/2080 | name | ef:agent/bootstrap_labels | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v1 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v2 |
| ef:activity/change/20260822T0600486828500000/2081 | synonyms | ef:agent/bootstrap_labels | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v2 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v3 |
| ef:activity/change/20260822T0600486828500000/136488 | context | ef:agent/default_context_mapping | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v3 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v4 |
| ef:activity/change/20260822T0600486828500000/136489 | context_iri | ef:agent/default_context_mapping | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v4 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v5 |
| ef:activity/change/20260822T0600486828500000/214032 | unit_iri | ef:agent/unit_normalization | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v5 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v6 |
| ef:activity/change/20260822T0600486828500000/221570 | prefLabel | ef:agent/normalize_name_case | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v6 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v7 |
| ef:activity/change/20260822T0600486828500000/229179 | properties | ef:agent/enrich_references | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v7 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v8 |
| ef:activity/change/20260822T0600486828500000/229180 | skos_definition | ef:agent/enrich_references | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v8 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v9 |
| ef:activity/change/20260822T0600486828500000/229181 | references | ef:agent/enrich_references | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v9 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v10 |
| ef:activity/change/20260822T0600486828500000/248893 | properties | ef:agent/rdkit_pre_consensus | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v10 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v11 |
| ef:activity/change/20260822T0600486828500000/269982 | altLabel | ef:agent/consensus_match | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v11 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v12 |
| ef:activity/change/20260822T0600486828500000/269983 | cas_match_labels | ef:agent/consensus_match | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v12 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v13 |
| ef:activity/change/20260822T0600486828500000/274014 | properties | ef:agent/opsin_iupac | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v13 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v14 |
| ef:activity/change/20260822T0600486828500000/280418 | properties | ef:agent/rdkit_post_consensus | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v14 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v15 |
| ef:activity/change/20260822T0600486828500000/287670 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v15 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v16 |
| ef:activity/change/20260822T0600486828500000/349240 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v16 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v17 |
| ef:activity/change/20260822T0600486828500000/388305 | properties | ef:agent/normalise_property_values | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v17 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v18 |
| ef:activity/change/20260822T0600486828500000/394978 | types | ef:agent/link_flows_to_their_substance | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v18 | ef:flow/91fe6a19-82d2-4502-825f-6621ff68f1f3/v19 |