Sulfamethoxazole
Everything that changed this flow. Back to the flow
9201797a-af4a-4933-a99b-48d501f64448
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 3 catalogue altLabel value(s): 'MS 53' (grade code), 'NSC 147832' (registry code), 'STX 608' (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=sulfamethoxazole||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'723-46-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a511520633b2c7ee: {'723-46-6': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['723-46-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9332']; candidate_pubchem_cids=[5329, 53421252, 73557510]; selected_pubchem_cids=[5329]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,484 | bootstrap_labels | prefLabel | — | [{"@value":"sulfamethoxazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 10,485 | bootstrap_labels | name | sulfamethoxazole | — | Purged legacy name field to enforce prefLabel usage |
| 10,486 | bootstrap_labels | synonyms | ["organic","sulfamethoxazole"] | [] | Removed legacy synonyms field in favor of structured labels |
| 136,492 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 136,493 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,818 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,549 | normalize_name_case | prefLabel | [{"@value":"sulfamethoxazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Sulfamethoxazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,166 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,167 | enrich_references | skos_definition | — | [{"@value":"An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfo… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,168 | enrich_references | references | [] | [{"@id":"drugcentral:2514","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['723-46-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9332']; candidate_pubchem_cids=[5329, 53421252, 73557510]; selected_pubchem_cids=[5329]; 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 |
| 251,179 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | rdkit_pre_consensus from 'CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N'; added: monoisotopic_mass |
| 255,867 | chebi_altlabels | altLabel | [] | [{"@value":"3-(p-Aminophenylsulfonamido)-5-methylisoxazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Added 7 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,154 | consensus_match | altLabel | [{"@value":"3-(p-Aminophenylsulfonamido)-5-methylisoxazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"3-(p-Aminophenylsulfonamido)-5-methylisoxazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | group_key=sulfamethoxazole||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=723-46-6; added Common Chemistry CAS names as altLabel: 3-(<em>p</em>-Aminobenzenesulfonamido)-5-methylisoxazole, 4-Amino-<em>N</em>-(5-methyl-3-isoxazolyl)benzensulfonamide, 5-Methyl-3-sulfanilamidoisoxazole, <em>N</em>-(5-Methylisoxazol-3-yl)-4-aminobenzenesulfonamide, <em>N</em><sup>1</sup>-(5-Methyl-3-isoxazolyl)sulfanilamide, Benzenesulfonamide, 4-amino-<em>N</em>-(5-methyl-3-isoxazolyl)-, Gantanol, MS 53, MeSH ID: D013420, NSC 147832, Radonil, Ro 4-2130, STX 608, Sinomin, Sulfamethalazole, Sulfamethoxazol, Sulfanilamide, <em>N</em><sup>1</sup>-(5-methyl-3-isoxazolyl)-, Sulfisomezole; object_uuid=fo-a511520633b2c7ee |
| 272,155 | consensus_match | cas_match_labels | — | {"723-46-6":"exactMatch"} | group_key=sulfamethoxazole||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'723-46-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a511520633b2c7ee: {'723-46-6': 'exactMatch'} |
| 276,363 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(p-Aminophenylsulfonamido)-5-methylisoxazole' |
| 282,963 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | rdkit_post_consensus from 'Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,439 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(p-Aminophenylsulfonamido)-5-methylisoxazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | [{"@value":"3-(p-Aminophenylsulfonamido)-5-methylisoxazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_alt… | Removed 3 catalogue altLabel value(s): 'MS 53' (grade code), 'NSC 147832' (registry code), 'STX 608' (grade code) |
| 349,242 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9201797a-af4a-… | associations resolved on the elementary layer |
| 390,715 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H11N3O3… | typed the way the ontology types it |
| 398,462 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,463 | 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
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/20260821T1302361922970000/10484 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v0 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v1 |
| ef:activity/change/20260821T1302361922970000/10485 | name | ef:agent/bootstrap_labels | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v1 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v2 |
| ef:activity/change/20260821T1302361922970000/10486 | synonyms | ef:agent/bootstrap_labels | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v2 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v3 |
| ef:activity/change/20260821T1302361922970000/136492 | context | ef:agent/default_context_mapping | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v3 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v4 |
| ef:activity/change/20260821T1302361922970000/136493 | context_iri | ef:agent/default_context_mapping | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v4 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v5 |
| ef:activity/change/20260821T1302361922970000/216818 | unit_iri | ef:agent/unit_normalization | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v5 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v6 |
| ef:activity/change/20260821T1302361922970000/223549 | prefLabel | ef:agent/normalize_name_case | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v6 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v7 |
| ef:activity/change/20260821T1302361922970000/237166 | properties | ef:agent/enrich_references | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v7 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v8 |
| ef:activity/change/20260821T1302361922970000/237167 | skos_definition | ef:agent/enrich_references | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v8 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v9 |
| ef:activity/change/20260821T1302361922970000/237168 | references | ef:agent/enrich_references | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v9 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v10 |
| ef:activity/change/20260821T1302361922970000/251179 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v10 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v11 |
| ef:activity/change/20260821T1302361922970000/255867 | altLabel | ef:agent/chebi_altlabels | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v11 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v12 |
| ef:activity/change/20260821T1302361922970000/272154 | altLabel | ef:agent/consensus_match | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v12 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v13 |
| ef:activity/change/20260821T1302361922970000/272155 | cas_match_labels | ef:agent/consensus_match | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v13 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v14 |
| ef:activity/change/20260821T1302361922970000/276363 | properties | ef:agent/opsin_iupac | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v14 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v15 |
| ef:activity/change/20260821T1302361922970000/282963 | properties | ef:agent/rdkit_post_consensus | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v15 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v16 |
| ef:activity/change/20260821T1302361922970000/289439 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v16 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v17 |
| ef:activity/change/20260821T1302361922970000/349242 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v17 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v18 |
| ef:activity/change/20260821T1302361922970000/390715 | properties | ef:agent/normalise_property_values | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v18 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v19 |
| ef:activity/change/20260821T1302361922970000/398462 | types | ef:agent/link_flows_to_their_substance | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v19 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v20 |
| ef:activity/change/20260821T1302361922970000/398463 | roles | ef:agent/link_flows_to_their_substance | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v20 | ef:flow/9201797a-af4a-4933-a99b-48d501f64448/v21 |