3,3-dimethylglutaric Acid
Everything that changed this flow. Back to the flow
d063ad63-1fb6-46ce-9c09-b0aa0fb418f2
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 14987' (registry code), 'NSC 49114' (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-dimethylglutaricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4839-46-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a218a87343bea0c: {'4839-46-7': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['4839-46-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_68502']; candidate_pubchem_cids=[20984, 20473996]; selected_pubchem_cids=[20984]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,671 | bootstrap_labels | prefLabel | — | [{"@value":"3,3-dimethylglutaric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 16,672 | bootstrap_labels | name | 3,3-dimethylglutaric acid | — | Purged legacy name field to enforce prefLabel usage |
| 16,673 | bootstrap_labels | synonyms | [".beta.,.beta.-Dimethylglutaric acid","3,3-Dimethylglutarate","3,3-Dimethylpentanedioic acid","3,3-Dimethylpentaneodio… | [] | Removed legacy synonyms field in favor of structured labels |
| 173,258 | 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 |
| 173,259 | 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 |
| 218,809 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,910 | normalize_name_case | prefLabel | [{"@value":"3,3-dimethylglutaric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | [{"@value":"3,3-dimethylglutaric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,853 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 242,854 | enrich_references | skos_definition | — | [{"@value":"An α,ω-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.","@lan… | Merged ChEBI/PubChem definitions into skos:definition |
| 242,855 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J135.759J","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['4839-46-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_68502']; candidate_pubchem_cids=[20984, 20473996]; selected_pubchem_cids=[20984]; 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 |
| 252,834 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | rdkit_pre_consensus from 'CC(C)(CC(=O)O)CC(=O)O'; added: monoisotopic_mass |
| 256,582 | chebi_altlabels | altLabel | [] | [{"@value":"3,3-dimethylpentanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Added 1 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,500 | consensus_match | altLabel | [{"@value":"3,3-dimethylpentanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"3,3-dimethylpentanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | group_key=3,3-dimethylglutaricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=4839-46-7; added Common Chemistry CAS names as altLabel: Glutaric acid, 3,3-dimethyl-, Glutaric acid, β,β-dimethyl-, NSC 14987, NSC 49114, Pentanedioic acid, 3,3-dimethyl-, β,β-Dimethylglutaric acid; object_uuid=fo-6a218a87343bea0c |
| 261,501 | consensus_match | cas_match_labels | — | {"4839-46-7":"exactMatch"} | group_key=3,3-dimethylglutaricacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4839-46-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a218a87343bea0c: {'4839-46-7': 'exactMatch'} |
| 278,037 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,3-dimethylglutaric Acid' |
| 284,767 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | rdkit_post_consensus from 'CC(C)(CC(=O)O)CC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,642 | strip_catalogue_altlabels | altLabel | [{"@value":"3,3-dimethylpentanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | [{"@value":"3,3-dimethylpentanedioic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:was… | Removed 2 catalogue altLabel value(s): 'NSC 14987' (registry code), 'NSC 49114' (registry code) |
| 367,653 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d063ad63-1fb6-… | associations resolved on the elementary layer |
| 392,394 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H12O4"],… | typed the way the ontology types it |
| 400,838 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/16671 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v0 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v1 |
| ef:activity/change/20260821T1302361922970000/16672 | name | ef:agent/bootstrap_labels | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v1 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v2 |
| ef:activity/change/20260821T1302361922970000/16673 | synonyms | ef:agent/bootstrap_labels | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v2 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v3 |
| ef:activity/change/20260821T1302361922970000/173258 | context | ef:agent/default_context_mapping | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v3 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v4 |
| ef:activity/change/20260821T1302361922970000/173259 | context_iri | ef:agent/default_context_mapping | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v4 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v5 |
| ef:activity/change/20260821T1302361922970000/218809 | unit_iri | ef:agent/unit_normalization | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v5 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v6 |
| ef:activity/change/20260821T1302361922970000/224910 | prefLabel | ef:agent/normalize_name_case | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v6 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v7 |
| ef:activity/change/20260821T1302361922970000/242853 | properties | ef:agent/enrich_references | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v7 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v8 |
| ef:activity/change/20260821T1302361922970000/242854 | skos_definition | ef:agent/enrich_references | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v8 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v9 |
| ef:activity/change/20260821T1302361922970000/242855 | references | ef:agent/enrich_references | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v9 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v10 |
| ef:activity/change/20260821T1302361922970000/252834 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v10 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v11 |
| ef:activity/change/20260821T1302361922970000/256582 | altLabel | ef:agent/chebi_altlabels | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v11 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v12 |
| ef:activity/change/20260821T1302361922970000/261500 | altLabel | ef:agent/consensus_match | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v12 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v13 |
| ef:activity/change/20260821T1302361922970000/261501 | cas_match_labels | ef:agent/consensus_match | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v13 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v14 |
| ef:activity/change/20260821T1302361922970000/278037 | properties | ef:agent/opsin_iupac | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v14 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v15 |
| ef:activity/change/20260821T1302361922970000/284767 | properties | ef:agent/rdkit_post_consensus | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v15 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v16 |
| ef:activity/change/20260821T1302361922970000/290642 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v16 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v17 |
| ef:activity/change/20260821T1302361922970000/367653 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v17 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v18 |
| ef:activity/change/20260821T1302361922970000/392394 | properties | ef:agent/normalise_property_values | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v18 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v19 |
| ef:activity/change/20260821T1302361922970000/400838 | types | ef:agent/link_flows_to_their_substance | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v19 | ef:flow/d063ad63-1fb6-46ce-9c09-b0aa0fb418f2/v20 |