4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride
Everything that changed this flow. Back to the flow
f3b59994-1215-49c7-bc4f-137eeff43317
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=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5261-99-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-947c2b666dae368e: {'5261-99-4': '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=['5261-99-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[6452677, 13455332, 26967466, 71310209, 138399816]; selected_pubchem_cids=[13455332]; 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 |
|---|---|---|---|---|---|
| 12,646 | bootstrap_labels | prefLabel | — | [{"@value":"4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride","@language":"en","source":{"prov:wasGenera… | Bootstrapped prefLabel from legacy name field |
| 12,647 | bootstrap_labels | name | 4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride | — | Purged legacy name field to enforce prefLabel usage |
| 12,648 | bootstrap_labels | synonyms | ["organic","[(â±)-(4-amino-2-hydroxy-4-oxobutyl)trimethylammonium]chloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 196,290 | 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 |
| 196,291 | 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 |
| 217,523 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,029 | normalize_name_case | prefLabel | [{"@value":"4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium chloride","@language":"en","source":{"prov:wasGenera… | [{"@value":"4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride","@language":"en","source":{"prov:wasGenera… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,193 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,194 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,195 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=5261-99-4","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['5261-99-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[6452677, 13455332, 26967466, 71310209, 138399816]; selected_pubchem_cids=[13455332]; 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 |
| 251,771 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | rdkit_pre_consensus from 'C[N+](C)(C)CC(CC(=O)N)O.[Cl-]'; added: molecular_mass, monoisotopic_mass |
| 262,556 | consensus_match | altLabel | [] | [{"@value":"(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"… | group_key=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=5261-99-4; added Common Chemistry CAS names as altLabel: (3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride (1:1), 1-Butanaminium, 4-amino-2-hydroxy-<em>N</em>,<em>N</em>,<em>N</em>-trimethyl-4-oxo-, chloride, (±)-, <span class="text-smallcaps">DL</span>-Carnitine amide chloride, Ammonium, (3-carbamoyl-2-hydroxypropyl)trimethyl-, chloride, <span class="text-smallcaps">DL</span>-; object_uuid=fo-947c2b666dae368e |
| 262,557 | consensus_match | cas_match_labels | — | {"5261-99-4":"exactMatch"} | group_key=4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminiumchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5261-99-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-947c2b666dae368e: {'5261-99-4': 'exactMatch'} |
| 276,958 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride' |
| 283,609 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | rdkit_post_consensus from 'C[N+](C)(C)CC(O)CC(N)=O.[Cl-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,641 | dedupe_altlabels | altLabel | [{"@value":"(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"… | [{"@value":"(3-Carbamoyl-2-hydroxypropyl)trimethylammonium chloride","@language":"en","source":{"prov:wasGeneratedBy":"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 379,178 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f3b59994-1215-… | associations resolved on the elementary layer |
| 391,313 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H17ClN2O… | typed the way the ontology types it |
| 399,288 | 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/20260821T1302361922970000/12646 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v0 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v1 |
| ef:activity/change/20260821T1302361922970000/12647 | name | ef:agent/bootstrap_labels | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v1 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v2 |
| ef:activity/change/20260821T1302361922970000/12648 | synonyms | ef:agent/bootstrap_labels | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v2 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v3 |
| ef:activity/change/20260821T1302361922970000/196290 | context | ef:agent/default_context_mapping | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v3 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v4 |
| ef:activity/change/20260821T1302361922970000/196291 | context_iri | ef:agent/default_context_mapping | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v4 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v5 |
| ef:activity/change/20260821T1302361922970000/217523 | unit_iri | ef:agent/unit_normalization | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v5 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v6 |
| ef:activity/change/20260821T1302361922970000/224029 | prefLabel | ef:agent/normalize_name_case | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v6 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v7 |
| ef:activity/change/20260821T1302361922970000/239193 | properties | ef:agent/enrich_references | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v7 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v8 |
| ef:activity/change/20260821T1302361922970000/239194 | skos_definition | ef:agent/enrich_references | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v8 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v9 |
| ef:activity/change/20260821T1302361922970000/239195 | references | ef:agent/enrich_references | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v9 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v10 |
| ef:activity/change/20260821T1302361922970000/251771 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v10 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v11 |
| ef:activity/change/20260821T1302361922970000/262556 | altLabel | ef:agent/consensus_match | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v11 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v12 |
| ef:activity/change/20260821T1302361922970000/262557 | cas_match_labels | ef:agent/consensus_match | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v12 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v13 |
| ef:activity/change/20260821T1302361922970000/276958 | properties | ef:agent/opsin_iupac | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v13 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v14 |
| ef:activity/change/20260821T1302361922970000/283609 | properties | ef:agent/rdkit_post_consensus | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v14 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v15 |
| ef:activity/change/20260821T1302361922970000/292641 | altLabel | ef:agent/dedupe_altlabels | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v15 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v16 |
| ef:activity/change/20260821T1302361922970000/379178 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v16 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v17 |
| ef:activity/change/20260821T1302361922970000/391313 | properties | ef:agent/normalise_property_values | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v17 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v18 |
| ef:activity/change/20260821T1302361922970000/399288 | types | ef:agent/link_flows_to_their_substance | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v18 | ef:flow/f3b59994-1215-49c7-bc4f-137eeff43317/v19 |