3,3-dimethylbutyric Acid
Everything that changed this flow. Back to the flow
f0a6b7d9-f173-4b4b-b9f9-66f130da269b
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 1 catalogue altLabel value(s): 'NSC 4537' (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=3,3-dimethylbutyricacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1070-83-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-689e2d4fdb28fef9: {'1070-83-3': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1070-83-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38647']; candidate_pubchem_cids=[14057, 6950250, 23433504, 45055489]; selected_pubchem_cids=[14057]; 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 |
|---|---|---|---|---|---|
| 21,371 | bootstrap_labels | prefLabel | — | [{"@value":"3,3-dimethylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 21,372 | bootstrap_labels | name | 3,3-dimethylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 21,373 | bootstrap_labels | synonyms | ["3,3-Dimethyl-n-butyric acid","3,3-Dimethylbutanoic acid","3,3-dimethyl-butanoic acid","AC1L2318","AC1Q1MI0","AKOS0001… | [] | Removed legacy synonyms field in favor of structured labels |
| 193,592 | 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) |
| 193,593 | 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) |
| 220,203 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,930 | normalize_name_case | prefLabel | [{"@value":"3,3-dimethylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"3,3-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) |
| 246,736 | 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) |
| 246,737 | enrich_references | skos_definition | — | [{"@value":"A dimethylbutyric acid in which both methyl substituents are at C3; used as an intermediate in the synthesi… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,738 | enrich_references | references | [] | [{"@id":"beilstein:1740427","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['1070-83-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38647']; candidate_pubchem_cids=[14057, 6950250, 23433504, 45055489]; selected_pubchem_cids=[14057]; 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 |
| 257,080 | chebi_altlabels | altLabel | [] | [{"@value":"3,3-dimethyl-n-butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,498 | consensus_match | altLabel | [{"@value":"3,3-dimethyl-n-butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"3,3-dimethyl-n-butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | group_key=3,3-dimethylbutyricacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=1070-83-3; added Common Chemistry CAS names as altLabel: Butanoic acid, 3,3-dimethyl-, Butyric acid, 3,3-dimethyl-, Butyric acid, β,β-dimethyl-, NSC 4537; object_uuid=fo-689e2d4fdb28fef9 |
| 261,499 | consensus_match | cas_match_labels | — | {"1070-83-3":"exactMatch"} | group_key=3,3-dimethylbutyricacid||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1070-83-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-689e2d4fdb28fef9: {'1070-83-3': 'exactMatch'} |
| 279,152 | 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 '3,3-dimethylbutyric Acid' |
| 286,006 | 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 'CC(C)(C)CC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,451 | strip_catalogue_altlabels | altLabel | [{"@value":"3,3-dimethyl-n-butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | [{"@value":"3,3-dimethyl-n-butyric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAt… | Removed 1 catalogue altLabel value(s): 'NSC 4537' (registry code) |
| 377,828 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f0a6b7d9-f173-… | associations resolved on the elementary layer |
| 393,539 | 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 |
| 402,579 | 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/20260821T1554374006150000/21371 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v0 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v1 |
| ef:activity/change/20260821T1554374006150000/21372 | name | ef:agent/bootstrap_labels | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v1 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v2 |
| ef:activity/change/20260821T1554374006150000/21373 | synonyms | ef:agent/bootstrap_labels | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v2 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v3 |
| ef:activity/change/20260821T1554374006150000/193592 | context | ef:agent/default_context_mapping | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v3 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v4 |
| ef:activity/change/20260821T1554374006150000/193593 | context_iri | ef:agent/default_context_mapping | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v4 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v5 |
| ef:activity/change/20260821T1554374006150000/220203 | unit_iri | ef:agent/unit_normalization | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v5 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v6 |
| ef:activity/change/20260821T1554374006150000/225930 | prefLabel | ef:agent/normalize_name_case | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v6 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v7 |
| ef:activity/change/20260821T1554374006150000/246736 | properties | ef:agent/enrich_references | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v7 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v8 |
| ef:activity/change/20260821T1554374006150000/246737 | skos_definition | ef:agent/enrich_references | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v8 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v9 |
| ef:activity/change/20260821T1554374006150000/246738 | references | ef:agent/enrich_references | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v9 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v10 |
| ef:activity/change/20260821T1554374006150000/257080 | altLabel | ef:agent/chebi_altlabels | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v10 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v11 |
| ef:activity/change/20260821T1554374006150000/261498 | altLabel | ef:agent/consensus_match | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v11 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v12 |
| ef:activity/change/20260821T1554374006150000/261499 | cas_match_labels | ef:agent/consensus_match | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v12 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v13 |
| ef:activity/change/20260821T1554374006150000/279152 | properties | ef:agent/opsin_iupac | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v13 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v14 |
| ef:activity/change/20260821T1554374006150000/286006 | properties | ef:agent/rdkit_post_consensus | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v14 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v15 |
| ef:activity/change/20260821T1554374006150000/291451 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v15 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v16 |
| ef:activity/change/20260821T1554374006150000/377828 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v16 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v17 |
| ef:activity/change/20260821T1554374006150000/393539 | properties | ef:agent/normalise_property_values | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v17 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v18 |
| ef:activity/change/20260821T1554374006150000/402579 | types | ef:agent/link_flows_to_their_substance | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v18 | ef:flow/f0a6b7d9-f173-4b4b-b9f9-66f130da269b/v19 |