Pivalic Acid
Everything that changed this flow. Back to the flow
e3651212-c7b5-4c92-b68e-e6e67d66a7ef
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 65449' (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=pivalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-98-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-919cdf8cc51ec62a: {'75-98-9': '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 air, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['75-98-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45133']; candidate_pubchem_cids=[6417, 755798]; selected_pubchem_cids=[6417]; 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 |
|---|---|---|---|---|---|
| 12,805 | bootstrap_labels | prefLabel | — | [{"@value":"pivalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 12,806 | bootstrap_labels | name | pivalic acid | — | Purged legacy name field to enforce prefLabel usage |
| 14,420 | bootstrap_labels | synonyms | [".alpha.,.alpha.-Dimethylpropionic acid","2,2-DIMETHYLPROPANOIC ACID","2,2-Dimethylpropionic acid","AB1002486","AC1L1M… | [] | Removed legacy synonyms field in favor of structured labels |
| 186,062 | 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 |
| 186,063 | 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 |
| 217,574 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,064 | normalize_name_case | prefLabel | [{"@value":"pivalic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Pivalic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,337 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 239,338 | enrich_references | skos_definition | — | [{"@value":"A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-posit… | Merged ChEBI/PubChem definitions into skos:definition |
| 239,339 | enrich_references | references | [] | [{"@id":"beilstein:969480","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['75-98-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_45133']; candidate_pubchem_cids=[6417, 755798]; selected_pubchem_cids=[6417]; 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 |
| 256,139 | chebi_altlabels | altLabel | [] | [{"@value":"2,2-dimethylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,781 | consensus_match | altLabel | [{"@value":"2,2-dimethylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,2-dimethylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=pivalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=75-98-9; added Common Chemistry CAS names as altLabel: 2,2,2-Trimethylacetic acid, NSC 65449, Neovaleric acid, Propanoic acid, 2,2-dimethyl-, Trimethylmethanecarboxylic acid, Versatic 5 acid, Versatic Acid 5, α,α-Dimethylpropionic acid; object_uuid=fo-919cdf8cc51ec62a |
| 270,782 | consensus_match | cas_match_labels | — | {"75-98-9":"exactMatch"} | group_key=pivalicacid||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-98-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-919cdf8cc51ec62a: {'75-98-9': 'exactMatch'} |
| 277,001 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pivalic Acid' |
| 283,653 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | rdkit_post_consensus from 'CC(C)(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,891 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-dimethylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"2,2-dimethylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 65449' (registry code) |
| 374,058 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e3651212-c7b5-… | associations resolved on the elementary layer |
| 391,354 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | typed the way the ontology types it |
| 399,350 | 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/20260821T1554374006150000/12805 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v0 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v1 |
| ef:activity/change/20260821T1554374006150000/12806 | name | ef:agent/bootstrap_labels | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v1 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v2 |
| ef:activity/change/20260821T1554374006150000/14420 | synonyms | ef:agent/bootstrap_labels | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v2 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v3 |
| ef:activity/change/20260821T1554374006150000/186062 | context | ef:agent/default_context_mapping | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v3 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v4 |
| ef:activity/change/20260821T1554374006150000/186063 | context_iri | ef:agent/default_context_mapping | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v4 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v5 |
| ef:activity/change/20260821T1554374006150000/217574 | unit_iri | ef:agent/unit_normalization | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v5 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v6 |
| ef:activity/change/20260821T1554374006150000/224064 | prefLabel | ef:agent/normalize_name_case | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v6 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v7 |
| ef:activity/change/20260821T1554374006150000/239337 | properties | ef:agent/enrich_references | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v7 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v8 |
| ef:activity/change/20260821T1554374006150000/239338 | skos_definition | ef:agent/enrich_references | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v8 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v9 |
| ef:activity/change/20260821T1554374006150000/239339 | references | ef:agent/enrich_references | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v9 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v10 |
| ef:activity/change/20260821T1554374006150000/256139 | altLabel | ef:agent/chebi_altlabels | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v10 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v11 |
| ef:activity/change/20260821T1554374006150000/270781 | altLabel | ef:agent/consensus_match | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v11 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v12 |
| ef:activity/change/20260821T1554374006150000/270782 | cas_match_labels | ef:agent/consensus_match | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v12 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v13 |
| ef:activity/change/20260821T1554374006150000/277001 | properties | ef:agent/opsin_iupac | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v13 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v14 |
| ef:activity/change/20260821T1554374006150000/283653 | properties | ef:agent/rdkit_post_consensus | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v14 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v15 |
| ef:activity/change/20260821T1554374006150000/289891 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v15 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v16 |
| ef:activity/change/20260821T1554374006150000/374058 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v16 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v17 |
| ef:activity/change/20260821T1554374006150000/391354 | properties | ef:agent/normalise_property_values | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v17 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v18 |
| ef:activity/change/20260821T1554374006150000/399350 | types | ef:agent/link_flows_to_their_substance | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v18 | ef:flow/e3651212-c7b5-4c92-b68e-e6e67d66a7ef/v19 |