Ethyl 2-cyano-3-oxobutanoate
Everything that changed this flow. Back to the flow
3b2918d5-b776-4d82-8cb3-94407d81666f
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 | chebi_altlabels, consensus_match | group_key=ethyl2-cyano-3-oxobutanoate||dimension=Environmental > media=Air > strata=Long-term; cas=634-55-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, 2-cyano-, ethyl ester, Butanoic acid, 2-cyano-3-oxo-, ethyl ester, Ethyl α-cyanoacetoacetate; object_uuid=fo-2ae6ba54fcdf81ff |
| 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=ethyl2-cyano-3-oxobutanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'pubchem']; cas_sources={'634-55-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ae6ba54fcdf81ff: {'634-55-9': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['634-55-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51924']; candidate_pubchem_cids=[136455, 7566755, 76179710]; selected_pubchem_cids=[136455]; 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 |
|---|---|---|---|---|---|
| 6,527 | bootstrap_labels | prefLabel | — | [{"@value":"ethyl 2-cyano-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 6,528 | bootstrap_labels | name | ethyl 2-cyano-3-oxobutanoate | — | Purged legacy name field to enforce prefLabel usage |
| 6,529 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 75,766 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 75,767 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 215,518 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,591 | normalize_name_case | prefLabel | [{"@value":"ethyl 2-cyano-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Ethyl 2-cyano-3-oxobutanoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,447 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,448 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,449 | enrich_references | references | [] | [{"@id":"beilstein:1770897","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['634-55-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51924']; candidate_pubchem_cids=[136455, 7566755, 76179710]; selected_pubchem_cids=[136455]; 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 |
| 250,122 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | rdkit_pre_consensus from 'CCOC(=O)C(C#N)C(=O)C'; added: monoisotopic_mass |
| 255,179 | chebi_altlabels | altLabel | [] | [{"@value":"2-cyanoacetoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 266,831 | consensus_match | altLabel | [{"@value":"2-cyanoacetoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | [{"@value":"2-cyanoacetoacetic acid ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","pr… | group_key=ethyl2-cyano-3-oxobutanoate||dimension=Environmental > media=Air > strata=Long-term; cas=634-55-9; added Common Chemistry CAS names as altLabel: Acetoacetic acid, 2-cyano-, ethyl ester, Butanoic acid, 2-cyano-3-oxo-, ethyl ester, Ethyl α-cyanoacetoacetate; object_uuid=fo-2ae6ba54fcdf81ff |
| 266,832 | consensus_match | cas_match_labels | — | {"634-55-9":"exactMatch"} | group_key=ethyl2-cyano-3-oxobutanoate||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'pubchem']; cas_sources={'634-55-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ae6ba54fcdf81ff: {'634-55-9': 'exactMatch'} |
| 275,259 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Ethyl 2-cyano-3-oxobutanoate' |
| 281,765 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | rdkit_post_consensus from 'CCOC(=O)C(C#N)C(C)=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 318,898 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3b2918d5-b776-… | associations resolved on the elementary layer |
| 389,562 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3"],… | typed the way the ontology types it |
| 396,766 | 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/20260822T0600486828500000/6527 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v0 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v1 |
| ef:activity/change/20260822T0600486828500000/6528 | name | ef:agent/bootstrap_labels | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v1 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v2 |
| ef:activity/change/20260822T0600486828500000/6529 | synonyms | ef:agent/bootstrap_labels | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v2 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v3 |
| ef:activity/change/20260822T0600486828500000/75766 | context | ef:agent/default_context_mapping | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v3 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v4 |
| ef:activity/change/20260822T0600486828500000/75767 | context_iri | ef:agent/default_context_mapping | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v4 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v5 |
| ef:activity/change/20260822T0600486828500000/215518 | unit_iri | ef:agent/unit_normalization | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v5 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v6 |
| ef:activity/change/20260822T0600486828500000/222591 | prefLabel | ef:agent/normalize_name_case | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v6 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v7 |
| ef:activity/change/20260822T0600486828500000/233447 | properties | ef:agent/enrich_references | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v7 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v8 |
| ef:activity/change/20260822T0600486828500000/233448 | skos_definition | ef:agent/enrich_references | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v8 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v9 |
| ef:activity/change/20260822T0600486828500000/233449 | references | ef:agent/enrich_references | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v9 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v10 |
| ef:activity/change/20260822T0600486828500000/250122 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v10 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v11 |
| ef:activity/change/20260822T0600486828500000/255179 | altLabel | ef:agent/chebi_altlabels | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v11 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v12 |
| ef:activity/change/20260822T0600486828500000/266831 | altLabel | ef:agent/consensus_match | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v12 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v13 |
| ef:activity/change/20260822T0600486828500000/266832 | cas_match_labels | ef:agent/consensus_match | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v13 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v14 |
| ef:activity/change/20260822T0600486828500000/275259 | properties | ef:agent/opsin_iupac | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v14 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v15 |
| ef:activity/change/20260822T0600486828500000/281765 | properties | ef:agent/rdkit_post_consensus | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v15 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v16 |
| ef:activity/change/20260822T0600486828500000/318898 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v16 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v17 |
| ef:activity/change/20260822T0600486828500000/389562 | properties | ef:agent/normalise_property_values | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v17 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v18 |
| ef:activity/change/20260822T0600486828500000/396766 | types | ef:agent/link_flows_to_their_substance | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v18 | ef:flow/3b2918d5-b776-4d82-8cb3-94407d81666f/v19 |