2,2-dimethylbutyric Acid
Everything that changed this flow. Back to the flow
e97b7875-1358-4132-bd37-9cf13476acfc
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 16045' (registry code), 'NSC 741804' (registry code) |
| 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=2,2-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'} |
| 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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | 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 |
| 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 |
|---|---|---|---|---|---|
| 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 |
| 189,552 | 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 |
| 189,553 | 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 |
| 215,111 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,318 | 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) |
| 232,281 | 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) |
| 232,282 | 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 |
| 232,283 | 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 |
| 255,052 | 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) |
| 259,658 | 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 |
| 259,659 | 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'} |
| 274,920 | 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' |
| 281,392 | 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 |
| 288,334 | 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) |
| 375,798 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e97b7875-1358-… | associations resolved on the elementary layer |
| 389,219 | normalise_property_values | 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"],… | typed the way the ontology types it |
| 396,276 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T0609040591070000/5307 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v0 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v1 |
| ef:activity/change/20260821T0609040591070000/5308 | name | ef:agent/bootstrap_labels | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v1 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v2 |
| ef:activity/change/20260821T0609040591070000/5309 | synonyms | ef:agent/bootstrap_labels | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v2 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v3 |
| ef:activity/change/20260821T0609040591070000/189552 | context | ef:agent/default_context_mapping | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v3 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v4 |
| ef:activity/change/20260821T0609040591070000/189553 | context_iri | ef:agent/default_context_mapping | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v4 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v5 |
| ef:activity/change/20260821T0609040591070000/215111 | unit_iri | ef:agent/unit_normalization | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v5 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v6 |
| ef:activity/change/20260821T0609040591070000/222318 | prefLabel | ef:agent/normalize_name_case | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v6 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v7 |
| ef:activity/change/20260821T0609040591070000/232281 | properties | ef:agent/enrich_references | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v7 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v8 |
| ef:activity/change/20260821T0609040591070000/232282 | skos_definition | ef:agent/enrich_references | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v8 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v9 |
| ef:activity/change/20260821T0609040591070000/232283 | references | ef:agent/enrich_references | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v9 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v10 |
| ef:activity/change/20260821T0609040591070000/255052 | altLabel | ef:agent/chebi_altlabels | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v10 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v11 |
| ef:activity/change/20260821T0609040591070000/259658 | altLabel | ef:agent/consensus_match | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v11 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v12 |
| ef:activity/change/20260821T0609040591070000/259659 | cas_match_labels | ef:agent/consensus_match | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v12 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v13 |
| ef:activity/change/20260821T0609040591070000/274920 | properties | ef:agent/opsin_iupac | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v13 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v14 |
| ef:activity/change/20260821T0609040591070000/281392 | properties | ef:agent/rdkit_post_consensus | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v14 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v15 |
| ef:activity/change/20260821T0609040591070000/288334 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v15 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v16 |
| ef:activity/change/20260821T0609040591070000/375798 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v16 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v17 |
| ef:activity/change/20260821T0609040591070000/389219 | properties | ef:agent/normalise_property_values | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v17 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v18 |
| ef:activity/change/20260821T0609040591070000/396276 | types | ef:agent/link_flows_to_their_substance | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v18 | ef:flow/e97b7875-1358-4132-bd37-9cf13476acfc/v19 |