Thimerosal
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-f6200303d2d15aaa
Changes
60| # | 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 |
| 24,019 | bootstrap_labels | synonyms | ["thiomersal","ethyl(2-mercaptobenzoato-(2-)-o,s)mercurate(1-)sodium","natrium-(2-ethylmercuriothio)benzoat","sodium(2-… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,158 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 46,159 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 49,388 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 49,389 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 65,398 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 65,399 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 69,952 | 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 |
| 69,953 | 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 |
| 75,960 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 75,961 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 97,260 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 97,261 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 99,024 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 99,025 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 115,852 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 115,853 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 128,848 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 128,849 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 142,106 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 142,107 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 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 |
| 193,818 | 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 |
| 193,819 | 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 |
| 202,080 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 202,081 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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) |
| 304,105 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0ee4a61b-5699-… | associations resolved on the elementary layer |
| 305,721 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/144f154c-5ea9-… | associations resolved on the elementary layer |
| 313,717 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2abec419-eda3-… | associations resolved on the elementary layer |
| 315,993 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/326dd1d2-3f6a-… | associations resolved on the elementary layer |
| 318,995 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b8a832e-9499-… | associations resolved on the elementary layer |