2,3-epoxypropyltrimethylammonium Chloride
Everything that changed this flow. Back to the flow
1922e023-5a78-4bb1-8105-844ba224d796
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, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'Fluka 50053' (trade name), 'NSC 51213' (registry code), 'QUAB 151' (grade code), 'Raisacat 151' (trade name) |
| 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=2,3-epoxypropyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3033-77-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-715f3e6b53706b62: {'3033-77-0': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['3033-77-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[18205]; selected_pubchem_cids=[18205]; 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 |
|---|---|---|---|---|---|
| 14,228 | bootstrap_labels | prefLabel | — | [{"@value":"2,3-epoxypropyltrimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 14,229 | bootstrap_labels | name | 2,3-epoxypropyltrimethylammonium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 16,131 | bootstrap_labels | synonyms | ["(2,3-Epoxypropyl)trimethylammonium chloride",".beta.,.gamma.-Epoxypropyltrimethylammonium chloride","1-(Trimethylammo… | [] | Removed legacy synonyms field in favor of structured labels |
| 53,100 | 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 |
| 53,101 | 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 |
| 218,038 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,385 | normalize_name_case | prefLabel | [{"@value":"2,3-epoxypropyltrimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"2,3-epoxypropyltrimethylammonium Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 240,653 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,654 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,655 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.019.293","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3033-77-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[18205]; selected_pubchem_cids=[18205]; 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 |
| 252,194 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | rdkit_pre_consensus from 'C[N+](C)(C)CC1CO1.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 259,813 | consensus_match | altLabel | [] | [{"@value":"(2,3-Epoxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | group_key=2,3-epoxypropyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=3033-77-0; added Common Chemistry CAS names as altLabel: (2,3-Epoxypropyl)trimethylammonium chloride, (β,γ-Epoxypropyl)trimethylammonium chloride, 1,2-Epoxy-3-(trimethylammonio)propyl chloride, 1-(Trimethylammonio)-2,3-epoxypropane chloride, 2-Oxiranemethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride (1:1), <em>N</em>-Glycidyl-<em>N</em>,<em>N</em>,<em>N</em>-trimethylammonium chloride, <em>N</em>-Glycidyltrimethylammonium chloride, Ammonium, (2,3-epoxypropyl)trimethyl-, chloride, Catiomaster G, ETA, ETA (onium compound), Fluka 50053, G-MAC, Glycidyltrimethylammonium chloride, Glytac, Glytac A, Glytac A 100, NSC 51213, Oxiranemethanaminium, <em>N</em>,<em>N</em>,<em>N</em>-trimethyl-, chloride, QUAB 151, Raisacat 151, SY-GTA 80, Trimethylglycidylammonium chloride, Weisstex E 100, Wildye PTC, [(Trimethylammonio)methyl]oxirane chloride; object_uuid=fo-715f3e6b53706b62 |
| 259,814 | consensus_match | cas_match_labels | — | {"3033-77-0":"exactMatch"} | group_key=2,3-epoxypropyltrimethylammoniumchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3033-77-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-715f3e6b53706b62: {'3033-77-0': 'exactMatch'} |
| 277,387 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(2,3-Epoxypropyl)trimethylammonium chloride' |
| 284,065 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | rdkit_post_consensus from 'C[N+](C)(C)CC1CO1.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,164 | strip_catalogue_altlabels | altLabel | [{"@value":"(2,3-Epoxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | [{"@value":"(2,3-Epoxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_ma… | Removed 4 catalogue altLabel value(s): 'Fluka 50053' (trade name), 'NSC 51213' (registry code), 'QUAB 151' (grade code), 'Raisacat 151' (trade name) |
| 307,570 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1922e023-5a78-… | associations resolved on the elementary layer |
| 391,736 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H14ClNO"… | typed the way the ontology types it |
| 399,907 | 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/20260821T0609040591070000/14228 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v0 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v1 |
| ef:activity/change/20260821T0609040591070000/14229 | name | ef:agent/bootstrap_labels | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v1 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v2 |
| ef:activity/change/20260821T0609040591070000/16131 | synonyms | ef:agent/bootstrap_labels | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v2 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v3 |
| ef:activity/change/20260821T0609040591070000/53100 | context | ef:agent/default_context_mapping | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v3 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v4 |
| ef:activity/change/20260821T0609040591070000/53101 | context_iri | ef:agent/default_context_mapping | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v4 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v5 |
| ef:activity/change/20260821T0609040591070000/218038 | unit_iri | ef:agent/unit_normalization | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v5 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v6 |
| ef:activity/change/20260821T0609040591070000/224385 | prefLabel | ef:agent/normalize_name_case | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v6 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v7 |
| ef:activity/change/20260821T0609040591070000/240653 | properties | ef:agent/enrich_references | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v7 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v8 |
| ef:activity/change/20260821T0609040591070000/240654 | skos_definition | ef:agent/enrich_references | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v8 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v9 |
| ef:activity/change/20260821T0609040591070000/240655 | references | ef:agent/enrich_references | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v9 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v10 |
| ef:activity/change/20260821T0609040591070000/252194 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v10 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v11 |
| ef:activity/change/20260821T0609040591070000/259813 | altLabel | ef:agent/consensus_match | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v11 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v12 |
| ef:activity/change/20260821T0609040591070000/259814 | cas_match_labels | ef:agent/consensus_match | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v12 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v13 |
| ef:activity/change/20260821T0609040591070000/277387 | properties | ef:agent/opsin_iupac | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v13 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v14 |
| ef:activity/change/20260821T0609040591070000/284065 | properties | ef:agent/rdkit_post_consensus | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v14 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v15 |
| ef:activity/change/20260821T0609040591070000/290164 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v15 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v16 |
| ef:activity/change/20260821T0609040591070000/307570 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v16 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v17 |
| ef:activity/change/20260821T0609040591070000/391736 | properties | ef:agent/normalise_property_values | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v17 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v18 |
| ef:activity/change/20260821T0609040591070000/399907 | types | ef:agent/link_flows_to_their_substance | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v18 | ef:flow/1922e023-5a78-4bb1-8105-844ba224d796/v19 |