Thiotepa
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-8fe0-0050c2490048
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 2 catalogue altLabel value(s): 'NSC 6396' (registry code), 'SK 6882' (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=thiotepa||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'52-24-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61267003e927312b: {'52-24-4': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 200-135-7 from CAS 52-24-4 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['52-24-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9570']; candidate_pubchem_cids=[5453]; selected_pubchem_cids=[5453]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,716 | bootstrap_labels | prefLabel | — | [{"@value":"thiotepa","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 6,717 | bootstrap_labels | name | thiotepa | — | Purged legacy name field to enforce prefLabel usage |
| 6,718 | bootstrap_labels | synonyms | ["1,1',1''-Phosphinothioylidynetrisaziridine","1,1',1''-phosphorothioyltriaziridine",":thio-tepa","AC1L1KDQ","ARONIS241… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,964 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 31,965 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,581 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,633 | normalize_name_case | prefLabel | [{"@value":"thiotepa","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Thiotepa","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,780 | ec_cross_check | ec_numbers | [] | ["200-135-7"] | Resolved from EC-inventory: 200-135-7 from CAS 52-24-4 |
| 233,624 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,625 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,626 | enrich_references | references | [] | [{"@id":"drugcentral:2638","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['52-24-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9570']; candidate_pubchem_cids=[5453]; selected_pubchem_cids=[5453]; 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 |
| 250,175 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | rdkit_pre_consensus from 'C1CN1P(=S)(N2CC2)N3CC3'; added: monoisotopic_mass |
| 255,207 | chebi_altlabels | altLabel | [] | [{"@value":"oncotepa","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,600 | consensus_match | altLabel | [{"@value":"oncotepa","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"oncotepa","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=thiotepa||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=52-24-4; added Common Chemistry CAS names as altLabel: 1,1′,1′′-Phosphinothioylidynetris[aziridine], <em>N</em>,<em>N</em>′,<em>N</em>′′-Triethylenethiophosphoramide, <em>N</em>,<em>N</em>′,<em>N</em>′′-Triethylenethiophosphortriamide, AI 3-24916, Aziridine, 1,1′,1′′-phosphinothioylidynetris-, CBC 806495, Girostan, MeSH ID: D013852, NCI C01649, NSC 6396, Oncothio-tepa, Oncotiotepa, Phosphine sulfide, tris(1-aziridinyl)-, Phosphorothioic triamide, <em>N</em>,<em>N</em>′,<em>N</em>′′-tri-1,2-ethanediyl-, SK 6882, STEPA, TESPA, TSPA, Thio-Tep, Thio-Tepa S, Thiofozil, Thiophosphoramide, <em>N</em>,<em>N</em>′,<em>N</em>′′-tri-1,2-ethanediyl-, Thioplex, Thiotef, Thiotriethylenephosphoramide, Tio-TEF, Tiofosfamid, Tiofosyl, Tiofozil, Tri(ethyleneimino)thiophosphoramide, Tri-1-aziridinylphosphine sulfide, Triaziridinylphosphine sulfide, Triethylenethiophosphoramide, Triethylenethiophosphorotriamide, Tris(1-aziridinyl)phosphine sulfide, Tris(aziridinyl)phosphine sulfide, Tris(aziridinyl)phosphine-thioxide; object_uuid=fo-61267003e927312b |
| 272,601 | consensus_match | cas_match_labels | — | {"52-24-4":"exactMatch"} | group_key=thiotepa||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'52-24-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-61267003e927312b: {'52-24-4': 'exactMatch'} |
| 275,311 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phosphine sulfide, tris(1-aziridinyl)-' |
| 281,821 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | rdkit_post_consensus from 'S=P(N1CC1)(N1CC1)N1CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,627 | strip_catalogue_altlabels | altLabel | [{"@value":"oncotepa","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"oncotepa","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 2 catalogue altLabel value(s): 'NSC 6396' (registry code), 'SK 6882' (grade code) |
| 297,021 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 389,614 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N3PS"… | typed the way the ontology types it |
| 396,842 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/6716 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/6717 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/6718 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/31964 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/31965 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/215581 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/222633 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/226780 | ec_numbers | ef:agent/ec_cross_check | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/233624 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/233625 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/233626 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/250175 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/255207 | altLabel | ef:agent/chebi_altlabels | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/272600 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/272601 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/275311 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/281821 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/288627 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/297021 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v18 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/389614 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v19 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v20 |
| ef:activity/change/20260821T1554374006150000/396842 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v20 | ef:flow/08a91e70-3ddc-11dd-8fe0-0050c2490048/v21 |