Trimethoprim
Everything that changed this flow. Back to the flow
70ea9e82-1976-4032-a447-87f85aae5754
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NIH 204' (grade code), 'NSC 106568' (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=trimethoprim||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'738-70-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-078c320fd2607008: {'738-70-5': '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 non-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 non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['738-70-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45924']; candidate_pubchem_cids=[5578, 21109, 3084396]; selected_pubchem_cids=[5578]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 19,080 | bootstrap_labels | prefLabel | — | [{"@value":"trimethoprim","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 19,081 | bootstrap_labels | name | trimethoprim | — | Purged legacy name field to enforce prefLabel usage |
| 19,301 | bootstrap_labels | synonyms | ["2,4-Diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","2,4-Diamino-… | [] | Removed legacy synonyms field in favor of structured labels |
| 117,002 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 117,003 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,559 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,435 | normalize_name_case | prefLabel | [{"@value":"trimethoprim","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Trimethoprim","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,942 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 244,943 | enrich_references | skos_definition | — | [{"@value":"An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzen… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,944 | enrich_references | references | [] | [{"@id":"beilstein:625127","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['738-70-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45924']; candidate_pubchem_cids=[5578, 21109, 3084396]; selected_pubchem_cids=[5578]; 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 |
| 256,869 | chebi_altlabels | altLabel | [] | [{"@value":"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,973 | consensus_match | altLabel | [{"@value":"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | group_key=trimethoprim||dimension=Environmental > media=Air > indoor=Unknown; cas=738-70-5; added Common Chemistry CAS names as altLabel: 2,4-Diamino-5-(3′,4′,5′-trimethoxybenzyl)pyrimidine, 2,4-Pyrimidinediamine, 5-[(3,4,5-trimethoxyphenyl)methyl]-, BW 56-72, Infectotrimet, Instalac, MeSH ID: D014295, Monotrim, NIH 204, NSC 106568, Pyrimidine, 2,4-diamino-5-(3,4,5-trimethoxybenzyl)-, Syraprim, Tiempe, Trimanyl, Trimethioprim, Trimetoprim, Trimogal, Trimopan, Triprim, Uretrim, Wellcoprim; object_uuid=fo-078c320fd2607008 |
| 272,974 | consensus_match | cas_match_labels | — | {"738-70-5":"exactMatch"} | group_key=trimethoprim||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'738-70-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-078c320fd2607008: {'738-70-5': 'exactMatch'} |
| 278,644 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine' |
| 285,421 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | rdkit_post_consensus from 'COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,083 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | [{"@value":"2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine","@language":"en","source":{"prov:wasGeneratedBy":"chebi_a… | Removed 2 catalogue altLabel value(s): 'NIH 204' (grade code), 'NSC 106568' (registry code) |
| 339,493 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/70ea9e82-1976-… | associations resolved on the elementary layer |
| 393,005 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H18N4O3… | typed the way the ontology types it |
| 401,754 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 401,755 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_78298","rdfs:label":"environmental contaminant","http://www.w3.org/2004/0… | 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/20260821T0609040591070000/19080 | prefLabel | ef:agent/bootstrap_labels | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v0 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v1 |
| ef:activity/change/20260821T0609040591070000/19081 | name | ef:agent/bootstrap_labels | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v1 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v2 |
| ef:activity/change/20260821T0609040591070000/19301 | synonyms | ef:agent/bootstrap_labels | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v2 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v3 |
| ef:activity/change/20260821T0609040591070000/117002 | context | ef:agent/default_context_mapping | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v3 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v4 |
| ef:activity/change/20260821T0609040591070000/117003 | context_iri | ef:agent/default_context_mapping | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v4 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v5 |
| ef:activity/change/20260821T0609040591070000/219559 | unit_iri | ef:agent/unit_normalization | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v5 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v6 |
| ef:activity/change/20260821T0609040591070000/225435 | prefLabel | ef:agent/normalize_name_case | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v6 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v7 |
| ef:activity/change/20260821T0609040591070000/244942 | properties | ef:agent/enrich_references | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v7 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v8 |
| ef:activity/change/20260821T0609040591070000/244943 | skos_definition | ef:agent/enrich_references | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v8 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v9 |
| ef:activity/change/20260821T0609040591070000/244944 | references | ef:agent/enrich_references | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v9 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v10 |
| ef:activity/change/20260821T0609040591070000/256869 | altLabel | ef:agent/chebi_altlabels | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v10 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v11 |
| ef:activity/change/20260821T0609040591070000/272973 | altLabel | ef:agent/consensus_match | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v11 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v12 |
| ef:activity/change/20260821T0609040591070000/272974 | cas_match_labels | ef:agent/consensus_match | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v12 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v13 |
| ef:activity/change/20260821T0609040591070000/278644 | properties | ef:agent/opsin_iupac | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v13 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v14 |
| ef:activity/change/20260821T0609040591070000/285421 | properties | ef:agent/rdkit_post_consensus | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v14 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v15 |
| ef:activity/change/20260821T0609040591070000/291083 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v15 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v16 |
| ef:activity/change/20260821T0609040591070000/339493 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v16 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v17 |
| ef:activity/change/20260821T0609040591070000/393005 | properties | ef:agent/normalise_property_values | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v17 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v18 |
| ef:activity/change/20260821T0609040591070000/401754 | types | ef:agent/link_flows_to_their_substance | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v18 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v19 |
| ef:activity/change/20260821T0609040591070000/401755 | roles | ef:agent/link_flows_to_their_substance | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v19 | ef:flow/70ea9e82-1976-4032-a447-87f85aae5754/v20 |