2-hydroxy-n,n,n-trimethylethanaminium Hydroxide
Everything that changed this flow. Back to the flow
a603f9ae-2528-4885-86d8-83e43ab10385
By field
13 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 | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=2-hydroxy-n,n,n-trimethylethanaminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'123-41-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4e09173825904d60: {'123-41-1': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-41-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[305, 31255, 170746]; selected_pubchem_cids=[31255]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,417 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxy-n,n,n-trimethylethanaminium hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 11,418 | bootstrap_labels | name | 2-hydroxy-n,n,n-trimethylethanaminium hydroxide | — | Purged legacy name field to enforce prefLabel usage |
| 11,419 | bootstrap_labels | synonyms | ["organic","cholinehydroxide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 148,592 | 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 |
| 148,593 | 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 |
| 217,124 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,759 | normalize_name_case | prefLabel | [{"@value":"2-hydroxy-n,n,n-trimethylethanaminium hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | [{"@value":"2-hydroxy-n,n,n-trimethylethanaminium Hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,039 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,040 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,041 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.004.206","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['123-41-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[305, 31255, 170746]; selected_pubchem_cids=[31255]; 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 |
| 251,436 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | rdkit_pre_consensus from 'C[N+](C)(C)CCO.[OH-]'; added: molecular_mass, monoisotopic_mass |
| 260,929 | consensus_match | altLabel | [] | [{"@value":"(2-Hydroxyethyl)trimethylammonium hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=2-hydroxy-n,n,n-trimethylethanaminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; cas=123-41-1; added Common Chemistry CAS names as altLabel: (2-Hydroxyethyl)trimethylammonium hydroxide, (β-Hydroxyethyl)trimethylammonium hydroxide, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-<em>N</em>-(2-hydroxyethyl)ammonium hydroxide, <em>N</em>,<em>N</em>,<em>N</em>-Trimethyl-<em>N</em>-hydroxyethylammonium hydroxide, Bursine, Choline, hydroxide, Cholinium hydroxide, Ethanaminium, 2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, hydroxide, Ethanaminium, 2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, hydroxide (1:1), Fagine, Gossypine, Luridine, Sincaline, Sinkalin, Sinkaline, Trimethyl(2-hydroxyethyl)ammonium hydroxide, Trimethyl(hydroxyethyl)ammonium hydroxide, Vidine; object_uuid=fo-4e09173825904d60 |
| 260,930 | consensus_match | cas_match_labels | — | {"123-41-1":"exactMatch"} | group_key=2-hydroxy-n,n,n-trimethylethanaminiumhydroxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'123-41-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4e09173825904d60: {'123-41-1': 'exactMatch'} |
| 276,614 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2-Hydroxyethyl)trimethylammonium hydroxide' |
| 283,239 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | rdkit_post_consensus from 'C[N+](C)(C)CCO.[OH-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,572 | dedupe_altlabels | altLabel | [{"@value":"(2-Hydroxyethyl)trimethylammonium hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"(2-Hydroxyethyl)trimethylammonium hydroxide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,318 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a603f9ae-2528-… | associations resolved on the elementary layer |
| 390,971 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H15NO2"]… | typed the way the ontology types it |
| 398,817 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/11417 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v0 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v1 |
| ef:activity/change/20260821T1554374006150000/11418 | name | ef:agent/bootstrap_labels | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v1 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v2 |
| ef:activity/change/20260821T1554374006150000/11419 | synonyms | ef:agent/bootstrap_labels | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v2 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v3 |
| ef:activity/change/20260821T1554374006150000/148592 | context | ef:agent/default_context_mapping | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v3 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v4 |
| ef:activity/change/20260821T1554374006150000/148593 | context_iri | ef:agent/default_context_mapping | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v4 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v5 |
| ef:activity/change/20260821T1554374006150000/217124 | unit_iri | ef:agent/unit_normalization | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v5 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v6 |
| ef:activity/change/20260821T1554374006150000/223759 | prefLabel | ef:agent/normalize_name_case | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v6 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v7 |
| ef:activity/change/20260821T1554374006150000/238039 | properties | ef:agent/enrich_references | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v7 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v8 |
| ef:activity/change/20260821T1554374006150000/238040 | skos_definition | ef:agent/enrich_references | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v8 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v9 |
| ef:activity/change/20260821T1554374006150000/238041 | references | ef:agent/enrich_references | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v9 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v10 |
| ef:activity/change/20260821T1554374006150000/251436 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v10 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v11 |
| ef:activity/change/20260821T1554374006150000/260929 | altLabel | ef:agent/consensus_match | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v11 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v12 |
| ef:activity/change/20260821T1554374006150000/260930 | cas_match_labels | ef:agent/consensus_match | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v12 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v13 |
| ef:activity/change/20260821T1554374006150000/276614 | properties | ef:agent/opsin_iupac | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v13 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v14 |
| ef:activity/change/20260821T1554374006150000/283239 | properties | ef:agent/rdkit_post_consensus | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v14 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v15 |
| ef:activity/change/20260821T1554374006150000/292572 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v15 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v16 |
| ef:activity/change/20260821T1554374006150000/355318 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v16 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v17 |
| ef:activity/change/20260821T1554374006150000/390971 | properties | ef:agent/normalise_property_values | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v17 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v18 |
| ef:activity/change/20260821T1554374006150000/398817 | types | ef:agent/link_flows_to_their_substance | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v18 | ef:flow/a603f9ae-2528-4885-86d8-83e43ab10385/v19 |