Propylthiouracil
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-9a0b-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 6498' (registry code), 'NSC 70461' (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=propylthiouracil||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51-52-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-04ccd51a23af919f: {'51-52-5': '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 agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['51-52-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8502']; candidate_pubchem_cids=[657298, 3002043, 15818192, 44483322, 53249583, 57369380, 75990493]; selected_pubchem_cids=[657298]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,749 | bootstrap_labels | prefLabel | — | [{"@value":"propylthiouracil","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 22,750 | bootstrap_labels | name | propylthiouracil | — | Purged legacy name field to enforce prefLabel usage |
| 22,751 | bootstrap_labels | synonyms | ["2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","2-Mercapto-4-hydroxy-6-n-propylpyrimidine","2-Mercapto-6-propyl-4-… | [] | Removed legacy synonyms field in favor of structured labels |
| 94,132 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 94,133 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 220,549 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,201 | normalize_name_case | prefLabel | [{"@value":"propylthiouracil","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Propylthiouracil","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,645 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,646 | enrich_references | skos_definition | — | [{"@value":"A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hyd… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,647 | enrich_references | references | [] | [{"@id":"drugcentral:2308","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['51-52-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_8502']; candidate_pubchem_cids=[657298, 3002043, 15818192, 44483322, 53249583, 57369380, 75990493]; selected_pubchem_cids=[657298]; 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 |
| 254,223 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | rdkit_pre_consensus from 'CCCC1=CC(=O)NC(=S)N1'; added: monoisotopic_mass |
| 257,254 | chebi_altlabels | altLabel | [] | [{"@value":"2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Added 16 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,147 | consensus_match | altLabel | [{"@value":"2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | group_key=propylthiouracil||dimension=Environmental > media=Ground > geography=Agricultural; cas=51-52-5; added Common Chemistry CAS names as altLabel: 2-Mercapto-4-hydroxy-6-<em>n</em>-propylpyrimidine, 2-Mercapto-4-hydroxy-6-propylpyrimidine, 2-Mercapto-6-propylpyrimidin-4-ol, 4(1<em>H</em>)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-, 6-<em>n</em>-Propyl-2-thiouracil, 6-<em>n</em>-Propylthiouracil, 6-Propyl-2-thioxo-2,3-dihydro-1<em>H</em>-pyrimidin-4-one, MeSH ID: D011441, NSC 6498, NSC 70461, PTU, PTU (thyreostatic), Procasil, Propacil, Propycil, Propyl-Thiorist, Propyl-Thyracil, Propylthiorit, Prothiucil, Prothiurone, Prothycil, Prothyran, Protiural, Thiuragyl, Thyreostat II, Uracil, 6-propyl-2-thio-; object_uuid=fo-04ccd51a23af919f |
| 271,148 | consensus_match | cas_match_labels | — | {"51-52-5":"exactMatch"} | group_key=propylthiouracil||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'51-52-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-04ccd51a23af919f: {'51-52-5': 'exactMatch'} |
| 279,446 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propylthiouracil' |
| 286,322 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | rdkit_post_consensus from 'CCCc1cc(=O)[nH]c(=S)[nH]1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,670 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Removed 2 catalogue altLabel value(s): 'NSC 6498' (registry code), 'NSC 70461' (registry code) |
| 328,068 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 393,839 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H10N2OS"… | typed the way the ontology types it |
| 403,034 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/22749 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/22750 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/22751 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/94132 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/94133 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/220549 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/226201 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/247645 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/247646 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/247647 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/254223 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/257254 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/271147 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/271148 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/279446 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/286322 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/291670 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/328068 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/393839 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v18 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/403034 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v19 | ef:flow/4d9a8790-3ddd-11dd-9a0b-0050c2490048/v20 |