Choline Chloride
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-bb63f8a985e90408
Changes
58| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,551 | bootstrap_labels | prefLabel | — | [{"@value":"choline chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 1,552 | bootstrap_labels | name | choline chloride | — | Purged legacy name field to enforce prefLabel usage |
| 1,553 | bootstrap_labels | synonyms | ["(2-Hydroxyethyl)trimethylammonium","(2-Hydroxyethyl)trimethylammonium chloride","(beta-hydroxyethyl)trimethylammonium… | [] | Removed legacy synonyms field in favor of structured labels |
| 23,201 | bootstrap_labels | synonyms | ["cholinechloride","ethanaminium, 2-hydroxy-n,n,n-trimethyl-, chloride","cc75-cholinechloride,aqueoussolution","(2-hydr… | [] | Removed legacy synonyms field in favor of structured labels |
| 26,977 | 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 |
| 26,978 | 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 |
| 46,413 | 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) |
| 46,414 | 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) |
| 73,409 | 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) |
| 73,410 | 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) |
| 86,659 | 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 |
| 86,660 | 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 |
| 103,917 | 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 |
| 103,918 | 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 |
| 110,189 | 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 |
| 110,190 | 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 |
| 125,029 | 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 |
| 125,030 | 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 |
| 133,037 | 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 |
| 133,038 | 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 |
| 135,227 | 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 |
| 135,228 | 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 |
| 158,229 | 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 |
| 158,230 | 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 |
| 181,747 | 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 |
| 181,748 | 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 |
| 183,191 | 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 |
| 183,192 | 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 |
| 186,079 | 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 |
| 186,080 | 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 |
| 213,856 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,450 | normalize_name_case | prefLabel | [{"@value":"choline chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Choline Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,674 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 228,675 | enrich_references | skos_definition | — | [{"@value":"A quaternary ammonium salt with choline cation and chloride anion.","@language":"en","provenance":{"prov:wa… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,676 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.000.596","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['67-48-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_133341']; candidate_pubchem_cids=[305, 6209, 522265, 16213539]; selected_pubchem_cids=[6209]; 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 |
| 248,752 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | rdkit_pre_consensus from 'C[N+](C)(C)CCO.[Cl-]'; added: monoisotopic_mass |
| 254,565 | chebi_altlabels | altLabel | [] | [{"@value":"(2-Hydroxyethyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Added 19 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,143 | consensus_match | altLabel | [{"@value":"(2-Hydroxyethyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"(2-Hydroxyethyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | group_key=cholinechloride||dimension=Environmental > media=Water > water_body=Surface water; cas=67-48-1; added Common Chemistry CAS names as altLabel: (2-Hydroxyethyl)trimethylazanium chloride, (β-Hydroxyethyl)trimethylammonium chloride, Actiron CC 6, COL 24, Choline, chloride, Claytreat, Ethanaminium, 2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, Ethanaminium, 2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), Hormocline, Neocolina, Norcol 25, ReaShure Choline; object_uuid=fo-bb63f8a985e90408 |
| 265,144 | consensus_match | cas_match_labels | — | {"67-48-1":"exactMatch"} | group_key=cholinechloride||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'67-48-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb63f8a985e90408: {'67-48-1': 'exactMatch'} |
| 273,874 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Choline Chloride' |
| 280,266 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H14ClNO"… | rdkit_post_consensus from 'C[N+](C)(C)CCO.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,578 | strip_catalogue_altlabels | altLabel | [{"@value":"(2-Hydroxyethyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | [{"@value":"(2-Hydroxyethyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabe… | Removed 1 catalogue altLabel value(s): 'COL 24' (grade code) |
| 294,571 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01d4d90c-9aa7-… | associations resolved on the elementary layer |
| 304,272 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f60aa20-27d4-… | associations resolved on the elementary layer |
| 317,758 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/372f9779-fe5b-… | associations resolved on the elementary layer |
| 324,382 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4c97ead3-db45-… | associations resolved on the elementary layer |
| 332,991 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5b2b8223-c422-… | associations resolved on the elementary layer |
| 336,129 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/65752fda-70c0-… | associations resolved on the elementary layer |
| 343,551 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/7e7c58d5-302a-… | associations resolved on the elementary layer |
| 347,548 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8be52933-a75e-… | associations resolved on the elementary layer |