Thimerosal
Everything that changed this flow. Back to the flow
c3634779-5490-4cc6-a069-dbffee563ebd
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 4794' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=54-64-8; cc_chebi_agreed_name='Thimerosal'; object_uuid=fo-f6200303d2d15aaa |
| cas_match_labels | 1 | consensus_match | group_key=thiomersal||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'54-64-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6200303d2d15aaa: {'54-64-8': '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 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=['54-64-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9546']; candidate_pubchem_cids=[6093168, 16684434, 22708994, 67229533, 102509829, 131667300, 135427156]; selected_pubchem_cids=[16684434]; 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
23| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,291 | bootstrap_labels | prefLabel | — | [{"@value":"thiomersal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Bootstrapped prefLabel from legacy name field |
| 12,292 | bootstrap_labels | name | thiomersal | — | Purged legacy name field to enforce prefLabel usage |
| 12,293 | bootstrap_labels | synonyms | ["((O-CARBOXYPHENYL)THIO) ETHYLMERCURY SODIUM SALT","((o-Carboxyphenyl)thio)ethylmercury sodium salt","2-(Ethylmercurio… | [] | Removed legacy synonyms field in favor of structured labels |
| 165,488 | 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 |
| 165,489 | 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 |
| 217,406 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,940 | normalize_name_case | prefLabel | [{"@value":"thiomersal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Thiomersal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,856 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,857 | enrich_references | skos_definition | — | [{"@value":"An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent."… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,858 | enrich_references | references | [] | [{"@id":"gmelin:1677155","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"co… | Added references with provenance; cas_numbers=['54-64-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_9546']; candidate_pubchem_cids=[6093168, 16684434, 22708994, 67229533, 102509829, 131667300, 135427156]; selected_pubchem_cids=[16684434]; 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 |
| 251,670 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | rdkit_pre_consensus from 'CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]'; added: monoisotopic_mass |
| 256,068 | chebi_altlabels | altLabel | [] | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 272,584 | consensus_match | prefLabel | [{"@value":"Thiomersal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"con… | [{"@value":"Thimerosal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"cons… | cas=54-64-8; cc_chebi_agreed_name='Thimerosal'; object_uuid=fo-f6200303d2d15aaa |
| 272,585 | consensus_match | altLabel | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | cas=54-64-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-f6200303d2d15aaa |
| 272,586 | consensus_match | altLabel | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=thiomersal||dimension=Environmental > media=Water > water_body=Ocean; cas=54-64-8; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-mercapto-, mercury complex, Elcide 73, Elicide, Ethylmercurithiosalicylate sodium salt, MeSH ID: D013849, Mercurate(1-), ethyl[2-(mercapto-κ<em>S</em>)benzoato(2-)-κ<em>O</em>]-, sodium, Mercurate(1-), ethyl[2-(mercapto-κ<em>S</em>)benzoato(2-)-κ<em>O</em>]-, sodium (1:1), Mercurate(1-), ethyl[2-mercaptobenzoato(2-)-<em>O</em>,<em>S</em>]-, sodium, Mercury, ethyl(hydrogen <em>o</em>-mercaptobenzoato)-, sodium salt, Merfamin, Merseptyl, Merthiolate sodium, Mertorgan, Merzonin, NSC 4794, Nosemack, SET, Sodium 2-(ethylmercurithio)benzoate, Sodium <em>o</em>-(ethylmercurithio)benzoate, Thimersalate, Thiomersalat, Vitaseptol; object_uuid=fo-f6200303d2d15aaa |
| 272,587 | consensus_match | cas_match_labels | — | {"54-64-8":"exactMatch"} | group_key=thiomersal||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'54-64-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f6200303d2d15aaa: {'54-64-8': 'exactMatch'} |
| 276,853 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '[(o-carboxyphenyl)thio]ethylmercury sodium salt' |
| 283,499 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H9HgNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H8HgNaO2… | rdkit_post_consensus from 'O=C([O-])c1ccccc1SC[CH2][Hg].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,989 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H8HgNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H8HgNaO2… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,784 | strip_catalogue_altlabels | altLabel | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"Merthiolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'NSC 4794' (registry code) |
| 363,770 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c3634779-5490-… | associations resolved on the elementary layer |
| 391,213 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H8HgNaO2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C9H8HgNaO2… | typed the way the ontology types it |
| 399,146 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
23 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/20260821T1554374006150000/12291 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v0 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v1 |
| ef:activity/change/20260821T1554374006150000/12292 | name | ef:agent/bootstrap_labels | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v1 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v2 |
| ef:activity/change/20260821T1554374006150000/12293 | synonyms | ef:agent/bootstrap_labels | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v2 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v3 |
| ef:activity/change/20260821T1554374006150000/165488 | context | ef:agent/default_context_mapping | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v3 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v4 |
| ef:activity/change/20260821T1554374006150000/165489 | context_iri | ef:agent/default_context_mapping | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v4 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v5 |
| ef:activity/change/20260821T1554374006150000/217406 | unit_iri | ef:agent/unit_normalization | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v5 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v6 |
| ef:activity/change/20260821T1554374006150000/223940 | prefLabel | ef:agent/normalize_name_case | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v6 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v7 |
| ef:activity/change/20260821T1554374006150000/238856 | properties | ef:agent/enrich_references | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v7 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v8 |
| ef:activity/change/20260821T1554374006150000/238857 | skos_definition | ef:agent/enrich_references | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v8 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v9 |
| ef:activity/change/20260821T1554374006150000/238858 | references | ef:agent/enrich_references | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v9 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v10 |
| ef:activity/change/20260821T1554374006150000/251670 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v10 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v11 |
| ef:activity/change/20260821T1554374006150000/256068 | altLabel | ef:agent/chebi_altlabels | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v11 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v12 |
| ef:activity/change/20260821T1554374006150000/272584 | prefLabel | ef:agent/consensus_match | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v12 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v13 |
| ef:activity/change/20260821T1554374006150000/272585 | altLabel | ef:agent/consensus_match | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v13 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v14 |
| ef:activity/change/20260821T1554374006150000/272586 | altLabel | ef:agent/consensus_match | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v14 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v15 |
| ef:activity/change/20260821T1554374006150000/272587 | cas_match_labels | ef:agent/consensus_match | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v15 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v16 |
| ef:activity/change/20260821T1554374006150000/276853 | properties | ef:agent/opsin_iupac | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v16 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v17 |
| ef:activity/change/20260821T1554374006150000/283499 | properties | ef:agent/rdkit_post_consensus | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v17 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v18 |
| ef:activity/change/20260821T1554374006150000/286989 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v18 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v19 |
| ef:activity/change/20260821T1554374006150000/289784 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v19 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v20 |
| ef:activity/change/20260821T1554374006150000/363770 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v20 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v21 |
| ef:activity/change/20260821T1554374006150000/391213 | properties | ef:agent/normalise_property_values | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v21 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v22 |
| ef:activity/change/20260821T1554374006150000/399146 | types | ef:agent/link_flows_to_their_substance | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v22 | ef:flow/c3634779-5490-4cc6-a069-dbffee563ebd/v23 |