Etomidate
Everything that changed this flow. Back to the flow
bbef91b1-ea40-407a-99d1-f1bc4dfca849
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'R 16659' (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=etomidate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'33125-97-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e2584c7c35e0a793: {'33125-97-2': '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=['33125-97-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4910']; candidate_pubchem_cids=[36339, 667484, 6338045]; selected_pubchem_cids=[667484]; 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 |
|---|---|---|---|---|---|
| 13,454 | bootstrap_labels | prefLabel | — | [{"@value":"etomidate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | Bootstrapped prefLabel from legacy name field |
| 13,455 | bootstrap_labels | name | etomidate | — | Purged legacy name field to enforce prefLabel usage |
| 13,456 | bootstrap_labels | synonyms | ["(+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","(+)-Etomidate","(R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-c… | [] | Removed legacy synonyms field in favor of structured labels |
| 161,213 | 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 |
| 161,214 | 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 |
| 217,787 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,213 | normalize_name_case | prefLabel | [{"@value":"etomidate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | [{"@value":"Etomidate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"brig… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,932 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,933 | enrich_references | skos_definition | — | [{"@value":"The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anae… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,934 | enrich_references | references | [] | [{"@id":"drugcentral:1109","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['33125-97-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_4910']; candidate_pubchem_cids=[36339, 667484, 6338045]; selected_pubchem_cids=[667484]; 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 |
| 251,991 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | rdkit_pre_consensus from 'CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2'; added: inchi2d_string, monoisotopic_mass |
| 256,217 | chebi_altlabels | altLabel | [] | [{"@value":"(+)-ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,978 | consensus_match | altLabel | [{"@value":"(+)-ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"(+)-ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"… | group_key=etomidate||dimension=Environmental > media=Air > strata=Long-term; cas=33125-97-2; added Common Chemistry CAS names as altLabel: (R)-Ethyl 1-(1-phenylethyl)-1<em>H</em>-imidazole-5-carboxylate, 1<em>H</em>-Imidazole-5-carboxylic acid 1-[(1R)-1-phenylethyl]-, ethyl ester, 1<em>H</em>-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, ethyl ester, (<em>R</em>)-, 1<em>H</em>-Imidazole-5-carboxylic acid, 1-[(1<em>R</em>)-1-phenylethyl]-, ethyl ester, <em>d</em>-Etomidate, Amidate, Amidate (pharmaceutical), Hypnomidate, Imidazole-5-carboxylic acid, 1-(α-methylbenzyl)-, ethyl ester, (<em>R</em>)-(+)-, Lipuro, MeSH ID: D005045, Propiscin, R 16659, R-(+)-Etomidate, Radenarcon; object_uuid=fo-e2584c7c35e0a793 |
| 266,979 | consensus_match | cas_match_labels | — | {"33125-97-2":"exactMatch"} | group_key=etomidate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'33125-97-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e2584c7c35e0a793: {'33125-97-2': 'exactMatch'} |
| 277,190 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(R)-(+)-1-(alpha-methylbenzyl)imidazole-5-carboxylic acid ethyl ester' |
| 283,851 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | rdkit_post_consensus from 'CCOC(=O)c1cncn1[C@H](C)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,034 | strip_catalogue_altlabels | altLabel | [{"@value":"(+)-ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"(+)-ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate","@language":"en","source":{"prov:wasGeneratedBy":"… | Removed 1 catalogue altLabel value(s): 'R 16659' (grade code) |
| 361,663 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bbef91b1-ea40-… | associations resolved on the elementary layer |
| 391,562 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | typed the way the ontology types it |
| 399,633 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 399,634 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H16N2O2… | 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/20261019T0712047113160000/13454 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v0 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v1 |
| ef:activity/change/20261019T0712047113160000/13455 | name | ef:agent/bootstrap_labels | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v1 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v2 |
| ef:activity/change/20261019T0712047113160000/13456 | synonyms | ef:agent/bootstrap_labels | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v2 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v3 |
| ef:activity/change/20261019T0712047113160000/161213 | context | ef:agent/default_context_mapping | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v3 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v4 |
| ef:activity/change/20261019T0712047113160000/161214 | context_iri | ef:agent/default_context_mapping | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v4 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v5 |
| ef:activity/change/20261019T0712047113160000/217787 | unit_iri | ef:agent/unit_normalization | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v5 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v6 |
| ef:activity/change/20261019T0712047113160000/224213 | prefLabel | ef:agent/normalize_name_case | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v6 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v7 |
| ef:activity/change/20261019T0712047113160000/239932 | properties | ef:agent/enrich_references | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v7 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v8 |
| ef:activity/change/20261019T0712047113160000/239933 | skos_definition | ef:agent/enrich_references | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v8 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v9 |
| ef:activity/change/20261019T0712047113160000/239934 | references | ef:agent/enrich_references | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v9 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v10 |
| ef:activity/change/20261019T0712047113160000/251991 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v10 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v11 |
| ef:activity/change/20261019T0712047113160000/256217 | altLabel | ef:agent/chebi_altlabels | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v11 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v12 |
| ef:activity/change/20261019T0712047113160000/266978 | altLabel | ef:agent/consensus_match | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v12 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v13 |
| ef:activity/change/20261019T0712047113160000/266979 | cas_match_labels | ef:agent/consensus_match | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v13 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v14 |
| ef:activity/change/20261019T0712047113160000/277190 | properties | ef:agent/opsin_iupac | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v14 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v15 |
| ef:activity/change/20261019T0712047113160000/283851 | properties | ef:agent/rdkit_post_consensus | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v15 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v16 |
| ef:activity/change/20261019T0712047113160000/290034 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v16 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v17 |
| ef:activity/change/20261019T0712047113160000/361663 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v17 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v18 |
| ef:activity/change/20261019T0712047113160000/391562 | properties | ef:agent/normalise_property_values | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v18 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v19 |
| ef:activity/change/20261019T0712047113160000/399633 | types | ef:agent/link_flows_to_their_substance | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v19 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v20 |
| ef:activity/change/20261019T0712047113160000/399634 | properties | ef:agent/link_flows_to_their_substance | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v20 | ef:flow/bbef91b1-ea40-407a-99d1-f1bc4dfca849/v21 |