Thiopental Sodium
Everything that changed this flow. Back to the flow
6ed12570-a445-49d1-90cf-a2c2f798888a
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 | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=thiopentalsodium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'71-73-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d2034fc6231270d: {'71-73-8': '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=['71-73-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9561']; candidate_pubchem_cids=[3000715, 9795291, 12832575, 16220034, 23665410, 23675349, 71308385, 134686828]; selected_pubchem_cids=[23665410]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 15,928 | bootstrap_labels | prefLabel | — | [{"@value":"thiopental sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 15,929 | bootstrap_labels | name | thiopental sodium | — | Purged legacy name field to enforce prefLabel usage |
| 15,930 | bootstrap_labels | synonyms | ["4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt","4,6(1H,5H)-Pyrimidinedione,… | [] | Removed legacy synonyms field in favor of structured labels |
| 115,786 | 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 |
| 115,787 | 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 |
| 218,573 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,753 | normalize_name_case | prefLabel | [{"@value":"thiopental sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Thiopental Sodium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,179 | 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) |
| 242,180 | enrich_references | skos_definition | — | [{"@value":"An organic sodium salt having thiopental(1−) as the counter-ion.","@language":"en","provenance":{"prov:wasG… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,181 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.694","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['71-73-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9561']; candidate_pubchem_cids=[3000715, 9795291, 12832575, 16220034, 23665410, 23675349, 71308385, 134686828]; selected_pubchem_cids=[23665410]; 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 |
| 252,641 | 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)[S-])CC.[Na+]'; added: monoisotopic_mass |
| 256,493 | chebi_altlabels | altLabel | [] | [{"@value":"monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate","@language":"en","source":{"prov:wasGeneratedBy":"che… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,588 | consensus_match | altLabel | [{"@value":"monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate","@language":"en","source":{"prov:wasGeneratedBy":"che… | [{"@value":"monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate","@language":"en","source":{"prov:wasGeneratedBy":"che… | group_key=thiopentalsodium||dimension=Environmental > media=Ground > geography=Unknown; cas=71-73-8; added Common Chemistry CAS names as altLabel: 4,6(1<em>H</em>,5<em>H</em>)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt, 4,6(1<em>H</em>,5<em>H</em>)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1), 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid monosodium, <em>RS</em>-Thiopental sodium, Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium deriv., Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium salt, Farmotal, Hypnostan, Intra-Vital Sodium, Intraval sodium, Leopental, Nesdonal, Nesdonal sodium, Pentothal, Pentothal sodium, Ravonal, Sodium 5-ethyl-5-(α-methylbutyl)-2-thiobarbiturate, Sodium penthiobarbital, Soluble thiopentone, Thiomebumal sodium, Thionembutal, Thionembutal sodium, Thiopental sodium salt, Thiopentobarbitone sodium, Thiothal sodium, Tiopental sodium, Trapanal, Trapanal sodium; object_uuid=fo-3d2034fc6231270d |
| 272,589 | consensus_match | cas_match_labels | — | {"71-73-8":"exactMatch"} | group_key=thiopentalsodium||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'71-73-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3d2034fc6231270d: {'71-73-8': 'exactMatch'} |
| 277,845 | 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 'monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate' |
| 284,553 | 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(=S)NC1=O.[Na]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 287,065 | 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 |
| 292,847 | dedupe_altlabels | altLabel | [{"@value":"monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate","@language":"en","source":{"prov:wasGeneratedBy":"che… | [{"@value":"monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate","@language":"en","source":{"prov:wasGeneratedBy":"che… | Deduplicated altLabel values and removed entries matching prefLabel |
| 338,890 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6ed12570-a445-… | associations resolved on the elementary layer |
| 392,202 | 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 |
| 400,551 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1122181958110000/15928 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v0 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v1 |
| ef:activity/change/20260821T1122181958110000/15929 | name | ef:agent/bootstrap_labels | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v1 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v2 |
| ef:activity/change/20260821T1122181958110000/15930 | synonyms | ef:agent/bootstrap_labels | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v2 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v3 |
| ef:activity/change/20260821T1122181958110000/115786 | context | ef:agent/default_context_mapping | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v3 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v4 |
| ef:activity/change/20260821T1122181958110000/115787 | context_iri | ef:agent/default_context_mapping | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v4 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v5 |
| ef:activity/change/20260821T1122181958110000/218573 | unit_iri | ef:agent/unit_normalization | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v5 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v6 |
| ef:activity/change/20260821T1122181958110000/224753 | prefLabel | ef:agent/normalize_name_case | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v6 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v7 |
| ef:activity/change/20260821T1122181958110000/242179 | properties | ef:agent/enrich_references | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v7 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v8 |
| ef:activity/change/20260821T1122181958110000/242180 | skos_definition | ef:agent/enrich_references | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v8 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v9 |
| ef:activity/change/20260821T1122181958110000/242181 | references | ef:agent/enrich_references | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v9 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v10 |
| ef:activity/change/20260821T1122181958110000/252641 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v10 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v11 |
| ef:activity/change/20260821T1122181958110000/256493 | altLabel | ef:agent/chebi_altlabels | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v11 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v12 |
| ef:activity/change/20260821T1122181958110000/272588 | altLabel | ef:agent/consensus_match | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v12 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v13 |
| ef:activity/change/20260821T1122181958110000/272589 | cas_match_labels | ef:agent/consensus_match | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v13 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v14 |
| ef:activity/change/20260821T1122181958110000/277845 | properties | ef:agent/opsin_iupac | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v14 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v15 |
| ef:activity/change/20260821T1122181958110000/284553 | properties | ef:agent/rdkit_post_consensus | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v15 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v16 |
| ef:activity/change/20260821T1122181958110000/287065 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v16 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v17 |
| ef:activity/change/20260821T1122181958110000/292847 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v17 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v18 |
| ef:activity/change/20260821T1122181958110000/338890 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v18 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v19 |
| ef:activity/change/20260821T1122181958110000/392202 | properties | ef:agent/normalise_property_values | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v19 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v20 |
| ef:activity/change/20260821T1122181958110000/400551 | types | ef:agent/link_flows_to_their_substance | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v20 | ef:flow/6ed12570-a445-49d1-90cf-a2c2f798888a/v21 |