Sodium 2,4-dihyroxy-3,3-dimethylbutanoate
Everything that changed this flow. Back to the flow
94a87436-3626-48cb-abc7-832fbfe08680
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 28026' (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=sodium2,4-dihyroxy-3,3-dimethylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'1902-01-8': []}; assigned CAS labels from group consensus; object_uuid=fo-de3f283ff62b3e26: {'1902-01-8': '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=['1902-01-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[23712041]; selected_pubchem_cids=[23712041]; 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 |
|---|---|---|---|---|---|
| 4,041 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 2,4-dihyroxy-3,3-dimethylbutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 4,042 | bootstrap_labels | name | sodium 2,4-dihyroxy-3,3-dimethylbutanoate | — | Purged legacy name field to enforce prefLabel usage |
| 4,043 | bootstrap_labels | synonyms | ["organic","butanoicacid,2,4-dihydroxy-3,3-dimethyl-,monosodiumsalt"] | [] | Removed legacy synonyms field in favor of structured labels |
| 138,114 | 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 |
| 138,115 | 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 |
| 214,690 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,022 | normalize_name_case | prefLabel | [{"@value":"sodium 2,4-dihyroxy-3,3-dimethylbutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"Sodium 2,4-dihyroxy-3,3-dimethylbutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,071 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,072 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,073 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.324B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1902-01-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[23712041]; selected_pubchem_cids=[23712041]; 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 |
| 249,437 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | rdkit_pre_consensus from 'CC(C)(CO)C(C(=O)[O-])O.[Na+]'; added: molecular_mass, monoisotopic_mass |
| 271,695 | consensus_match | altLabel | [] | [{"@value":"(±)-Pantoic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=sodium2,4-dihyroxy-3,3-dimethylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; cas=1902-01-8; added Common Chemistry CAS names as altLabel: (±)-Pantoic acid sodium salt, <span class="text-smallcaps">DL</span>-Pantoic acid sodium salt, Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, (±)-, Butanoic acid, 2,4-dihydroxy-3,3-dimethyl-, sodium salt (1:1), Butyric acid, 2,4-dihydroxy-3,3-dimethyl-, monosodium salt, <span class="text-smallcaps">DL</span>-, Butyric acid, α,γ-dihydroxy-β,β-dimethyl-, sodium salt, NSC 28026; object_uuid=fo-de3f283ff62b3e26 |
| 271,696 | consensus_match | cas_match_labels | — | {"1902-01-8":"exactMatch"} | group_key=sodium2,4-dihyroxy-3,3-dimethylbutanoate||dimension=Environmental > media=Water > water_body=Long-term; group_sources=[]; cas_sources={'1902-01-8': []}; assigned CAS labels from group consensus; object_uuid=fo-de3f283ff62b3e26: {'1902-01-8': 'exactMatch'} |
| 274,569 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '(±)-Pantoic acid sodium salt' |
| 281,019 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | rdkit_post_consensus from 'CC(C)(CO)C(O)C(=O)[O-].[Na+]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,081 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-Pantoic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"(±)-Pantoic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 28026' (registry code) |
| 350,058 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/94a87436-3626-… | associations resolved on the elementary layer |
| 388,875 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H11NaO4"… | typed the way the ontology types it |
| 395,792 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260821T1302361922970000/4041 | prefLabel | ef:agent/bootstrap_labels | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v0 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v1 |
| ef:activity/change/20260821T1302361922970000/4042 | name | ef:agent/bootstrap_labels | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v1 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v2 |
| ef:activity/change/20260821T1302361922970000/4043 | synonyms | ef:agent/bootstrap_labels | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v2 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v3 |
| ef:activity/change/20260821T1302361922970000/138114 | context | ef:agent/default_context_mapping | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v3 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v4 |
| ef:activity/change/20260821T1302361922970000/138115 | context_iri | ef:agent/default_context_mapping | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v4 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v5 |
| ef:activity/change/20260821T1302361922970000/214690 | unit_iri | ef:agent/unit_normalization | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v5 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v6 |
| ef:activity/change/20260821T1302361922970000/222022 | prefLabel | ef:agent/normalize_name_case | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v6 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v7 |
| ef:activity/change/20260821T1302361922970000/231071 | properties | ef:agent/enrich_references | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v7 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v8 |
| ef:activity/change/20260821T1302361922970000/231072 | skos_definition | ef:agent/enrich_references | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v8 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v9 |
| ef:activity/change/20260821T1302361922970000/231073 | references | ef:agent/enrich_references | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v9 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v10 |
| ef:activity/change/20260821T1302361922970000/249437 | properties | ef:agent/rdkit_pre_consensus | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v10 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v11 |
| ef:activity/change/20260821T1302361922970000/271695 | altLabel | ef:agent/consensus_match | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v11 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v12 |
| ef:activity/change/20260821T1302361922970000/271696 | cas_match_labels | ef:agent/consensus_match | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v12 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v13 |
| ef:activity/change/20260821T1302361922970000/274569 | properties | ef:agent/opsin_iupac | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v13 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v14 |
| ef:activity/change/20260821T1302361922970000/281019 | properties | ef:agent/rdkit_post_consensus | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v14 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v15 |
| ef:activity/change/20260821T1302361922970000/288081 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v15 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v16 |
| ef:activity/change/20260821T1302361922970000/350058 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v16 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v17 |
| ef:activity/change/20260821T1302361922970000/388875 | properties | ef:agent/normalise_property_values | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v17 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v18 |
| ef:activity/change/20260821T1302361922970000/395792 | types | ef:agent/link_flows_to_their_substance | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v18 | ef:flow/94a87436-3626-48cb-abc7-832fbfe08680/v19 |