Barbituric acid
Everything that changed this flow. Back to the flow
0112bf59-a467-44cc-99b4-47d38b83b945
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 7889' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=67-52-7; cc_chebi_agreed_name='Barbituric acid'; object_uuid=fo-45f22f113ae1387d |
| cas_match_labels | 1 | consensus_match | group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-52-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45f22f113ae1387d: {'67-52-7': '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=['67-52-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16294']; candidate_pubchem_cids=[6211, 513624]; selected_pubchem_cids=[6211]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 960 | bootstrap_labels | prefLabel | — | [{"@value":"pyrimidine-2,4,6(1h,3h,5h)-trione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 961 | bootstrap_labels | name | pyrimidine-2,4,6(1h,3h,5h)-trione | — | Purged legacy name field to enforce prefLabel usage |
| 962 | bootstrap_labels | synonyms | ["organic","barbituricacid","2,4,6(1h,3h,5h)-pyrimidinetrione(9ci)","2,4,6-pyrimidinetriol","2,4,6-pyrimidinetrione","2… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,562 | 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 |
| 26,563 | 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 |
| 213,661 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,319 | normalize_name_case | prefLabel | [{"@value":"pyrimidine-2,4,6(1h,3h,5h)-trione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Pyrimidine-2,4,6(1h,3h,5h)-trione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,099 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,100 | enrich_references | skos_definition | — | [{"@value":"A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo gr… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,101 | enrich_references | references | [] | [{"@id":"gmelin:101571","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['67-52-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16294']; candidate_pubchem_cids=[6211, 513624]; selected_pubchem_cids=[6211]; 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 |
| 248,583 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | rdkit_pre_consensus from 'C1C(=O)NC(=O)NC1=O'; added: monoisotopic_mass |
| 254,506 | chebi_altlabels | altLabel | [] | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,249 | consensus_match | prefLabel | [{"@value":"Pyrimidine-2,4,6(1h,3h,5h)-trione","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | [{"@value":"Barbituric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=67-52-7; cc_chebi_agreed_name='Barbituric acid'; object_uuid=fo-45f22f113ae1387d |
| 271,250 | consensus_match | altLabel | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | cas=67-52-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-45f22f113ae1387d |
| 271,251 | consensus_match | altLabel | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; cas=67-52-7; added Common Chemistry CAS names as altLabel: 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione, 1,3-Diazinane-2,4,6-trione, 2,4,6-Pyrimidinetriol, 2,4,6-Pyrimidinetrione, 2,4,6-Trihydroxypyrimidine, 2,4,6-Trioxohexahydropyrimidine, 2-Hydroxypyrimidine-4,6(1<em>H</em>,5<em>H</em>)-dione, 6-Hydroxyuracil, Hexahydropyrimidine-2,4,6-trione, NSC 7889, Pyrimidinetrione, Urea, <em>N</em>,<em>N</em>′-(1,3-dioxo-1,3-propanediyl)-; object_uuid=fo-45f22f113ae1387d |
| 271,252 | consensus_match | cas_match_labels | — | {"67-52-7":"exactMatch"} | group_key=pyrimidine-2,4,6(1h,3h,5h)-trione||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-52-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-45f22f113ae1387d: {'67-52-7': 'exactMatch'} |
| 273,723 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Barbituric acid' |
| 280,096 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | rdkit_post_consensus from 'O=C1CC(=O)NC(=O)N1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,467 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"2,4,6(1H,3H,5H)-pyrimidinetrione","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 1 catalogue altLabel value(s): 'NSC 7889' (registry code) |
| 294,345 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0112bf59-a467-… | associations resolved on the elementary layer |
| 388,003 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H4N2O3"]… | typed the way the ontology types it |
| 394,569 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T0738569779880000/960 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v0 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v1 |
| ef:activity/change/20260820T0738569779880000/961 | name | ef:agent/bootstrap_labels | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v1 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v2 |
| ef:activity/change/20260820T0738569779880000/962 | synonyms | ef:agent/bootstrap_labels | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v2 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v3 |
| ef:activity/change/20260820T0738569779880000/26562 | context | ef:agent/default_context_mapping | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v3 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v4 |
| ef:activity/change/20260820T0738569779880000/26563 | context_iri | ef:agent/default_context_mapping | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v4 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v5 |
| ef:activity/change/20260820T0738569779880000/213661 | unit_iri | ef:agent/unit_normalization | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v5 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v6 |
| ef:activity/change/20260820T0738569779880000/221319 | prefLabel | ef:agent/normalize_name_case | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v6 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v7 |
| ef:activity/change/20260820T0738569779880000/228099 | properties | ef:agent/enrich_references | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v7 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v8 |
| ef:activity/change/20260820T0738569779880000/228100 | skos_definition | ef:agent/enrich_references | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v8 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v9 |
| ef:activity/change/20260820T0738569779880000/228101 | references | ef:agent/enrich_references | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v9 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v10 |
| ef:activity/change/20260820T0738569779880000/248583 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v10 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v11 |
| ef:activity/change/20260820T0738569779880000/254506 | altLabel | ef:agent/chebi_altlabels | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v11 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v12 |
| ef:activity/change/20260820T0738569779880000/271249 | prefLabel | ef:agent/consensus_match | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v12 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v13 |
| ef:activity/change/20260820T0738569779880000/271250 | altLabel | ef:agent/consensus_match | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v13 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v14 |
| ef:activity/change/20260820T0738569779880000/271251 | altLabel | ef:agent/consensus_match | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v14 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v15 |
| ef:activity/change/20260820T0738569779880000/271252 | cas_match_labels | ef:agent/consensus_match | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v15 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v16 |
| ef:activity/change/20260820T0738569779880000/273723 | properties | ef:agent/opsin_iupac | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v16 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v17 |
| ef:activity/change/20260820T0738569779880000/280096 | properties | ef:agent/rdkit_post_consensus | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v17 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v18 |
| ef:activity/change/20260820T0738569779880000/287467 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v18 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v19 |
| ef:activity/change/20260820T0738569779880000/294345 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v19 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v20 |
| ef:activity/change/20260820T0738569779880000/388003 | properties | ef:agent/normalise_property_values | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v20 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v21 |
| ef:activity/change/20260820T0738569779880000/394569 | types | ef:agent/link_flows_to_their_substance | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v21 | ef:flow/0112bf59-a467-44cc-99b4-47d38b83b945/v22 |