Pivalolactone
Everything that changed this flow. Back to the flow
4d9a8790-3ddd-11dd-98e2-0050c2490048
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=pivalolactone||dimension=Environmental > media=Air > indoor=Unknown; cas=1955-45-9; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3,3-dimethyl-, 3,3-Dimethyl-2-oxetanone, 3,3-Dimethyl-β-propiolactone, Hydracrylic acid, 2,2-dimethyl-, β-lactone, Pivalic acid lactone, Propanoic acid, 3-hydroxy-2,2-dimethyl-, β-lactone, α,a-Dimethyl-β-propiolactone, α,α-Dimethyl-β-propiolactone, α,α-Dimethylpropiolactone; object_uuid=fo-261a5a944ec9e8b2 |
| cas_match_labels | 1 | consensus_match | group_key=pivalolactone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1955-45-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-261a5a944ec9e8b2: {'1955-45-9': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1955-45-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[16059]; selected_pubchem_cids=[16059]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,272 | bootstrap_labels | prefLabel | — | [{"@value":"pivalolactone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 11,273 | bootstrap_labels | name | pivalolactone | — | Purged legacy name field to enforce prefLabel usage |
| 11,274 | bootstrap_labels | synonyms | [".alpha.,.alpha.-Dimethyl-.beta.-propiolactone","2-Oxetanone, 3,3-dimethyl-","3,3-Dimethyl-2-oxetanone","3,3-Dimethyl-… | [] | Removed legacy synonyms field in favor of structured labels |
| 93,550 | 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 |
| 93,551 | 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 |
| 217,074 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,723 | normalize_name_case | prefLabel | [{"@value":"pivalolactone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Pivalolactone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,901 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,902 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,903 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.694F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1955-45-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[16059]; selected_pubchem_cids=[16059]; 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 |
| 251,397 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_pre_consensus from 'CC1(COC1=O)C'; added: molecular_mass, monoisotopic_mass |
| 270,783 | consensus_match | altLabel | [] | [{"@value":"2-Oxetanone, 3,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAtt… | group_key=pivalolactone||dimension=Environmental > media=Air > indoor=Unknown; cas=1955-45-9; added Common Chemistry CAS names as altLabel: 2-Oxetanone, 3,3-dimethyl-, 3,3-Dimethyl-2-oxetanone, 3,3-Dimethyl-β-propiolactone, Hydracrylic acid, 2,2-dimethyl-, β-lactone, Pivalic acid lactone, Propanoic acid, 3-hydroxy-2,2-dimethyl-, β-lactone, α,a-Dimethyl-β-propiolactone, α,α-Dimethyl-β-propiolactone, α,α-Dimethylpropiolactone; object_uuid=fo-261a5a944ec9e8b2 |
| 270,784 | consensus_match | cas_match_labels | — | {"1955-45-9":"exactMatch"} | group_key=pivalolactone||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1955-45-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-261a5a944ec9e8b2: {'1955-45-9': 'exactMatch'} |
| 276,577 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Oxetanone, 3,3-dimethyl-' |
| 283,195 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | rdkit_post_consensus from 'CC1(C)COC1=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 327,781 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d9a8790-3ddd-… | associations resolved on the elementary layer |
| 390,931 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O2"],"… | typed the way the ontology types it |
| 398,757 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/11272 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v0 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/11273 | name | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v1 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/11274 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v2 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/93550 | context | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v3 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/93551 | context_iri | ef:agent/default_context_mapping | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v4 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/217074 | unit_iri | ef:agent/unit_normalization | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v5 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223723 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v6 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/237901 | properties | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v7 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/237902 | skos_definition | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v8 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/237903 | references | ef:agent/enrich_references | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v9 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/251397 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v10 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/270783 | altLabel | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v11 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/270784 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v12 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/276577 | properties | ef:agent/opsin_iupac | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v13 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/283195 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v14 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/327781 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v15 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/390931 | properties | ef:agent/normalise_property_values | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v16 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/398757 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v17 | ef:flow/4d9a8790-3ddd-11dd-98e2-0050c2490048/v18 |