Pentobarbital Sodium
Everything that changed this flow. Back to the flow
2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 10816' (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=pentobarbitalsodium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-33-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb9faa1953f90f89: {'57-33-0': '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=['57-33-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_7984']; candidate_pubchem_cids=[4737, 2776038, 11514319, 14075609, 16219847, 23676152, 42609641, 124080977]; selected_pubchem_cids=[23676152]; 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 |
|---|---|---|---|---|---|
| 11,487 | bootstrap_labels | prefLabel | — | [{"@value":"pentobarbital sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,488 | bootstrap_labels | name | pentobarbital sodium | — | Purged legacy name field to enforce prefLabel usage |
| 11,489 | bootstrap_labels | synonyms | ["(+-)-5-Ethyl-5-(1-methylbutyl)barbituric acid","2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-","2,4,6(… | [] | Removed legacy synonyms field in favor of structured labels |
| 66,924 | 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 |
| 66,925 | 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 |
| 217,148 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,772 | normalize_name_case | prefLabel | [{"@value":"pentobarbital sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Pentobarbital Sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,109 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,110 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,111 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.294","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['57-33-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_7984']; candidate_pubchem_cids=[4737, 2776038, 11514319, 14075609, 16219847, 23676152, 42609641, 124080977]; selected_pubchem_cids=[23676152]; 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 |
| 251,457 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | rdkit_pre_consensus from 'CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]'; added: monoisotopic_mass |
| 270,491 | consensus_match | altLabel | [] | [{"@value":"2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt","… | group_key=pentobarbitalsodium||dimension=Environmental > media=Ground > geography=Unknown; cas=57-33-0; added Common Chemistry CAS names as altLabel: 2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt, 2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, sodium salt (1:1), 5-Ethyl-5-(1-methylbutyl) barbituric acid sodium salt, 844, <em>RS</em>-Pentobarbital sodium, Auropan, Barbituric acid, 5-ethyl-5-(1-methylbutyl)-, sodium salt, Barpental, Biosedan, Butylone, Diabutal, Embutal, Entobar, Etaminal sodium, Ethaminal sodium, Euthanyl, Euthatal, Isobarb, Mebubarbital sodium, Mebumal sodium, Mebunat, NSC 10816, Napental, Narcoren, Nembutal sodium, Pacifan, Pental, Pentobarbitone sodium, Pentonal, Pentone, Praecicalm, Sagatal, Sodium 5-ethyl-5-(1-methylbutyl)barbiturate, Sodium ethaminal, Sodium nembutal, Sodium pental, Sodium pentobarbital, Sodium pentobarbitone, Sodium pentobarbiturate, Sodium-Pent, Soluble pentobarbital, Somnopentyl, Somnotol, Sopental, Sotyl, V-Pento, Vetbutal; object_uuid=fo-bb9faa1953f90f89 |
| 270,492 | consensus_match | cas_match_labels | — | {"57-33-0":"exactMatch"} | group_key=pentobarbitalsodium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'57-33-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb9faa1953f90f89: {'57-33-0': 'exactMatch'} |
| 276,636 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt' |
| 283,261 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | rdkit_post_consensus from 'CCCC(C)C1(CC)C(=O)NC(=O)NC1=O.[Na]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,965 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,626 | strip_catalogue_altlabels | altLabel | [{"@value":"2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt","… | [{"@value":"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-, monosodium salt","@language":"en","source":{"… | Removed 1 catalogue altLabel value(s): 'NSC 10816' (registry code) |
| 314,479 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2d4e1031-b12b-… | associations resolved on the elementary layer |
| 390,992 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N2Na… | typed the way the ontology types it |
| 398,846 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260822T0600486828500000/11487 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v0 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v1 |
| ef:activity/change/20260822T0600486828500000/11488 | name | ef:agent/bootstrap_labels | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v1 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v2 |
| ef:activity/change/20260822T0600486828500000/11489 | synonyms | ef:agent/bootstrap_labels | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v2 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v3 |
| ef:activity/change/20260822T0600486828500000/66924 | context | ef:agent/default_context_mapping | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v3 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v4 |
| ef:activity/change/20260822T0600486828500000/66925 | context_iri | ef:agent/default_context_mapping | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v4 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v5 |
| ef:activity/change/20260822T0600486828500000/217148 | unit_iri | ef:agent/unit_normalization | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v5 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v6 |
| ef:activity/change/20260822T0600486828500000/223772 | prefLabel | ef:agent/normalize_name_case | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v6 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v7 |
| ef:activity/change/20260822T0600486828500000/238109 | properties | ef:agent/enrich_references | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v7 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v8 |
| ef:activity/change/20260822T0600486828500000/238110 | skos_definition | ef:agent/enrich_references | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v8 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v9 |
| ef:activity/change/20260822T0600486828500000/238111 | references | ef:agent/enrich_references | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v9 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v10 |
| ef:activity/change/20260822T0600486828500000/251457 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v10 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v11 |
| ef:activity/change/20260822T0600486828500000/270491 | altLabel | ef:agent/consensus_match | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v11 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v12 |
| ef:activity/change/20260822T0600486828500000/270492 | cas_match_labels | ef:agent/consensus_match | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v12 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v13 |
| ef:activity/change/20260822T0600486828500000/276636 | properties | ef:agent/opsin_iupac | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v13 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v14 |
| ef:activity/change/20260822T0600486828500000/283261 | properties | ef:agent/rdkit_post_consensus | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v14 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v15 |
| ef:activity/change/20260822T0600486828500000/286965 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v15 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v16 |
| ef:activity/change/20260822T0600486828500000/289626 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v16 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v17 |
| ef:activity/change/20260822T0600486828500000/314479 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v17 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v18 |
| ef:activity/change/20260822T0600486828500000/390992 | properties | ef:agent/normalise_property_values | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v18 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v19 |
| ef:activity/change/20260822T0600486828500000/398846 | types | ef:agent/link_flows_to_their_substance | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v19 | ef:flow/2d4e1031-b12b-4a73-ad3e-eaadbecd4c2b/v20 |