2,2-dimethylbutyric Acid
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-3253c0ea2d0c6cc5
Changes
56| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,307 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 5,308 | bootstrap_labels | name | 2,2-dimethylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 5,309 | bootstrap_labels | synonyms | [".alpha.,.alpha.-Dimethylbutanoic acid",".alpha.,.alpha.-Dimethylbutyric acid","2,2-Dimethyl Butyric Acid","2,2-Dimeth… | [] | Removed legacy synonyms field in favor of structured labels |
| 12,944 | bootstrap_labels | synonyms | ["2,2-dimethylbutyricacid","2,2-dimethyl-butyric acid","dimethyl-ethylacetic acid","2,2-dimethyl butanoic acid","2,2-di… | [] | Removed legacy synonyms field in favor of structured labels |
| 30,607 | 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 |
| 30,608 | 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 |
| 47,057 | 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 |
| 47,058 | 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 |
| 49,851 | 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 |
| 49,852 | 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 |
| 76,903 | 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 |
| 76,904 | 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 |
| 83,979 | 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 |
| 83,980 | 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 |
| 112,115 | 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 |
| 112,116 | 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 |
| 119,299 | 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 |
| 119,300 | 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 |
| 127,323 | 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) |
| 127,324 | 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) |
| 136,665 | 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 |
| 136,666 | 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 |
| 149,471 | 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) |
| 149,472 | 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) |
| 157,309 | 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 |
| 157,310 | 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 |
| 189,555 | 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 |
| 189,556 | 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 |
| 201,855 | 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 |
| 201,856 | 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 |
| 215,114 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,322 | normalize_name_case | prefLabel | [{"@value":"2,2-dimethylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"2,2-dimethylbutyric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,285 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,286 | enrich_references | skos_definition | — | [{"@value":"A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potenti… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,287 | enrich_references | references | [] | [{"@id":"beilstein:1720666","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['595-37-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38649']; candidate_pubchem_cids=[11684, 6951315]; selected_pubchem_cids=[11684]; 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 |
| 255,060 | chebi_altlabels | altLabel | [] | [{"@value":"2,2-dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,661 | consensus_match | altLabel | [{"@value":"2,2-dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2,2-dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=595-37-9; added Common Chemistry CAS names as altLabel: <em>tert</em>-Amylcarboxylic acid, Butanoic acid, 2,2-dimethyl-, Butyric acid, 2,2-dimethyl-, Butyric acid, α,α-dimethyl-, Dimebutic acid, NSC 16045, NSC 741804, Neohexanoic acid, α,α-Dimethylbutanoic acid, α,α-Dimethylbutyric acid; object_uuid=fo-3253c0ea2d0c6cc5 |
| 259,662 | consensus_match | cas_match_labels | — | {"595-37-9":"exactMatch"} | group_key=2,2-dimethylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'595-37-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3253c0ea2d0c6cc5: {'595-37-9': 'exactMatch'} |
| 274,927 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-dimethylbutyric Acid' |
| 281,404 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CCC(C)(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,354 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"2,2-dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 2 catalogue altLabel value(s): 'NSC 16045' (registry code), 'NSC 741804' (registry code) |
| 296,381 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/067d67af-b8b1-… | associations resolved on the elementary layer |
| 304,594 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/10764345-be56-… | associations resolved on the elementary layer |
| 305,991 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/15236747-4074-… | associations resolved on the elementary layer |
| 319,504 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3d212cb3-cfef-… | associations resolved on the elementary layer |
| 323,041 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/47c12c9d-3b1c-… | associations resolved on the elementary layer |
| 337,092 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/68a3998d-cc15-… | associations resolved on the elementary layer |
| 340,682 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/74bdde2b-7de5-… | associations resolved on the elementary layer |
| 344,698 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/826a40e0-9395-… | associations resolved on the elementary layer |
| 349,363 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/924cd281-a595-… | associations resolved on the elementary layer |