Choline Chloride
Everything that changed this flow. Back to the flow
65752fda-70c0-49be-9210-f35278033034
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'COL 24' (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=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'} |
| 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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 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 |
| 110,192 | 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 |
| 110,193 | 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 |
| 213,859 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,452 | 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) |
| 228,678 | 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) |
| 228,679 | 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 |
| 228,680 | 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 |
| 248,753 | 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) |
| 265,160 | 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 |
| 265,161 | 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'} |
| 273,892 | 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' |
| 280,282 | 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 |
| 287,587 | 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) |
| 336,117 | 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 |
| 388,181 | normalise_property_values | 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"… | typed the way the ontology types it |
| 394,797 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
| 394,798 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d… | 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/20260820T1555490862250000/1551 | prefLabel | ef:agent/bootstrap_labels | ef:flow/65752fda-70c0-49be-9210-f35278033034/v0 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v1 |
| ef:activity/change/20260820T1555490862250000/1552 | name | ef:agent/bootstrap_labels | ef:flow/65752fda-70c0-49be-9210-f35278033034/v1 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v2 |
| ef:activity/change/20260820T1555490862250000/1553 | synonyms | ef:agent/bootstrap_labels | ef:flow/65752fda-70c0-49be-9210-f35278033034/v2 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v3 |
| ef:activity/change/20260820T1555490862250000/110192 | context | ef:agent/default_context_mapping | ef:flow/65752fda-70c0-49be-9210-f35278033034/v3 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v4 |
| ef:activity/change/20260820T1555490862250000/110193 | context_iri | ef:agent/default_context_mapping | ef:flow/65752fda-70c0-49be-9210-f35278033034/v4 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v5 |
| ef:activity/change/20260820T1555490862250000/213859 | unit_iri | ef:agent/unit_normalization | ef:flow/65752fda-70c0-49be-9210-f35278033034/v5 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v6 |
| ef:activity/change/20260820T1555490862250000/221452 | prefLabel | ef:agent/normalize_name_case | ef:flow/65752fda-70c0-49be-9210-f35278033034/v6 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v7 |
| ef:activity/change/20260820T1555490862250000/228678 | properties | ef:agent/enrich_references | ef:flow/65752fda-70c0-49be-9210-f35278033034/v7 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v8 |
| ef:activity/change/20260820T1555490862250000/228679 | skos_definition | ef:agent/enrich_references | ef:flow/65752fda-70c0-49be-9210-f35278033034/v8 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v9 |
| ef:activity/change/20260820T1555490862250000/228680 | references | ef:agent/enrich_references | ef:flow/65752fda-70c0-49be-9210-f35278033034/v9 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v10 |
| ef:activity/change/20260820T1555490862250000/248753 | properties | ef:agent/rdkit_pre_consensus | ef:flow/65752fda-70c0-49be-9210-f35278033034/v10 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v11 |
| ef:activity/change/20260820T1555490862250000/254565 | altLabel | ef:agent/chebi_altlabels | ef:flow/65752fda-70c0-49be-9210-f35278033034/v11 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v12 |
| ef:activity/change/20260820T1555490862250000/265160 | altLabel | ef:agent/consensus_match | ef:flow/65752fda-70c0-49be-9210-f35278033034/v12 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v13 |
| ef:activity/change/20260820T1555490862250000/265161 | cas_match_labels | ef:agent/consensus_match | ef:flow/65752fda-70c0-49be-9210-f35278033034/v13 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v14 |
| ef:activity/change/20260820T1555490862250000/273892 | properties | ef:agent/opsin_iupac | ef:flow/65752fda-70c0-49be-9210-f35278033034/v14 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v15 |
| ef:activity/change/20260820T1555490862250000/280282 | properties | ef:agent/rdkit_post_consensus | ef:flow/65752fda-70c0-49be-9210-f35278033034/v15 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v16 |
| ef:activity/change/20260820T1555490862250000/287587 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/65752fda-70c0-49be-9210-f35278033034/v16 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v17 |
| ef:activity/change/20260820T1555490862250000/336117 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/65752fda-70c0-49be-9210-f35278033034/v17 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v18 |
| ef:activity/change/20260820T1555490862250000/388181 | properties | ef:agent/normalise_property_values | ef:flow/65752fda-70c0-49be-9210-f35278033034/v18 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v19 |
| ef:activity/change/20260820T1555490862250000/394797 | types | ef:agent/link_flows_to_their_substance | ef:flow/65752fda-70c0-49be-9210-f35278033034/v19 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v20 |
| ef:activity/change/20260820T1555490862250000/394798 | roles | ef:agent/link_flows_to_their_substance | ef:flow/65752fda-70c0-49be-9210-f35278033034/v20 | ef:flow/65752fda-70c0-49be-9210-f35278033034/v21 |