4-amino-2-hydroxy-n,n,n-trimethyl-4-oxobutan-1-aminium Chloride
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-947c2b666dae368e
Changes
55| # | 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 |
| 46,633 | 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 |
| 46,634 | 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 |
| 55,905 | 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) |
| 55,906 | 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) |
| 68,793 | 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 |
| 68,794 | 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 |
| 96,099 | 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 |
| 96,100 | 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 |
| 134,567 | 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 |
| 134,568 | 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 |
| 147,649 | 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 |
| 147,650 | 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 |
| 179,667 | 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 |
| 179,668 | 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 |
| 179,849 | 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) |
| 179,850 | 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) |
| 187,837 | 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 |
| 187,838 | 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 |
| 191,585 | 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 |
| 191,586 | 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 |
| 191,911 | 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 |
| 191,912 | 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 |
| 196,293 | 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 |
| 196,294 | 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 |
| 198,461 | 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 |
| 198,462 | 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 |
| 217,526 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,033 | 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) |
| 239,197 | 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) |
| 239,198 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,199 | 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 |
| 251,778 | 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 |
| 262,559 | 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 |
| 262,560 | 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'} |
| 276,964 | 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' |
| 283,615 | 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 |
| 292,653 | 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 |
| 304,382 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0fb3f31a-dde8-… | associations resolved on the elementary layer |
| 309,019 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1db8a73f-7f7b-… | associations resolved on the elementary layer |
| 315,452 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/307e58ee-8f0c-… | associations resolved on the elementary layer |
| 329,084 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4db98764-ae2b-… | associations resolved on the elementary layer |
| 348,314 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8e7e1e8b-e008-… | associations resolved on the elementary layer |
| 354,877 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a4583c63-e7b9-… | associations resolved on the elementary layer |
| 370,889 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d9d8e6ac-1faf-… | associations resolved on the elementary layer |
| 370,980 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/da2cd453-c2d0-… | associations resolved on the elementary layer |
| 374,976 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e69327f1-c10c-… | associations resolved on the elementary layer |
| 376,854 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ed1ef812-bc00-… | associations resolved on the elementary layer |