Azathioprine
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-ae6d-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 1 catalogue altLabel value(s): 'NSC 39084' (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=azathioprine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'446-86-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5d59f8b71496f47: {'446-86-6': '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=['446-86-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2948']; candidate_pubchem_cids=[2265, 45073553, 131674237]; selected_pubchem_cids=[2265]; 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 |
|---|---|---|---|---|---|
| 7,732 | bootstrap_labels | prefLabel | — | [{"@value":"azathioprine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 7,733 | bootstrap_labels | name | azathioprine | — | Purged legacy name field to enforce prefLabel usage |
| 7,734 | bootstrap_labels | synonyms | ["1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-","1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","6… | [] | Removed legacy synonyms field in favor of structured labels |
| 210,450 | 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 |
| 210,451 | 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 |
| 215,919 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,906 | normalize_name_case | prefLabel | [{"@value":"azathioprine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Azathioprine","@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) |
| 234,579 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 234,580 | enrich_references | skos_definition | — | [{"@value":"A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimida… | Merged ChEBI/PubChem definitions into skos:definition |
| 234,581 | enrich_references | references | [] | [{"@id":"drugcentral:269","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['446-86-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_2948']; candidate_pubchem_cids=[2265, 45073553, 131674237]; selected_pubchem_cids=[2265]; 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 |
| 250,438 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | rdkit_pre_consensus from 'CN1C=NC(=C1SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]'; added: monoisotopic_mass |
| 255,426 | chebi_altlabels | altLabel | [] | [{"@value":"6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,970 | consensus_match | altLabel | [{"@value":"6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine","@language":"en","source":{"prov:wasGeneratedBy":"ch… | group_key=azathioprine||dimension=Environmental > media=Water > water_body=Long-term; cas=446-86-6; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Purine, 6-[(1-methyl-4-nitro-1<em>H</em>-imidazol-5-yl)thio]-, 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine, 6-(1-Methyl-4-nitromidazol-5-ylthio)purine, 6-[(1-Methyl-4-nitro-1<em>H</em>-imidazol-5-yl)thio]-9<em>H</em>-purine, 9<em>H</em>-Purine, 6-[(1-methyl-4-nitro-1<em>H</em>-imidazol-5-yl)thio]-, Azafor, Azamune, Azanin, Azasan, Azathioprin, Azathropine, Azoran, Azothioprine, BW 57-322, Imuran, Imurek, Imurel, MeSH ID: D001379, Muran, NSC 39084, Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-; object_uuid=fo-b5d59f8b71496f47 |
| 263,971 | consensus_match | cas_match_labels | — | {"446-86-6":"exactMatch"} | group_key=azathioprine||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'446-86-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b5d59f8b71496f47: {'446-86-6': 'exactMatch'} |
| 275,606 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine' |
| 282,140 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | rdkit_post_consensus from 'Cn1cnc([N+](=O)[O-])c1Sc1[nH]cnc2ncnc1-2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,847 | strip_catalogue_altlabels | altLabel | [{"@value":"6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine","@language":"en","source":{"prov:wasGeneratedBy":"ch… | [{"@value":"6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine","@language":"en","source":{"prov:wasGeneratedBy":"ch… | Removed 1 catalogue altLabel value(s): 'NSC 39084' (registry code) |
| 386,267 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 389,928 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H7N7O2S"… | typed the way the ontology types it |
| 397,323 | 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/20260821T1554374006150000/7732 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/7733 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/7734 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/210450 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/210451 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/215919 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/222906 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/234579 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/234580 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/234581 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250438 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/255426 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/263970 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/263971 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/275606 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/282140 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/288847 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/386267 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v18 |
| ef:activity/change/20260821T1554374006150000/389928 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v19 |
| ef:activity/change/20260821T1554374006150000/397323 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v19 | ef:flow/fe0acd60-3ddc-11dd-ae6d-0050c2490048/v20 |