2-Methylbutanal
Everything that changed this flow. Back to the flow
17604e40-297d-4ac8-b350-5ab54bbea936
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 77077' (registry code) |
| prefLabel | 2 | bootstrap_labels, consensus_match | cas=96-17-3; cc_chebi_agreed_name='2-Methylbutanal'; object_uuid=fo-2e61d507418b508e |
| cas_match_labels | 1 | consensus_match | group_key=2-methylbutyraldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-17-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2e61d507418b508e: {'96-17-3': '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=['96-17-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16182']; candidate_pubchem_cids=[7284, 6971249, 9568465]; selected_pubchem_cids=[7284]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,727 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 13,728 | bootstrap_labels | name | 2-methylbutyraldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 13,729 | bootstrap_labels | synonyms | ["(S)-2-methylbutanal",".alpha.-Methylbutanal",".alpha.-Methylbutyraldehyde",".alpha.-Methylbutyric aldehyde","2-Ethylp… | [] | Removed legacy synonyms field in favor of structured labels |
| 52,074 | 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 |
| 52,075 | 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 |
| 217,874 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,182 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,183 | enrich_references | skos_definition | — | [{"@value":"A methylbutanal in which the methyl substituent is at position 2.","@language":"en","provenance":{"prov:was… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,184 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.111C","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['96-17-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16182']; candidate_pubchem_cids=[7284, 6971249, 9568465]; selected_pubchem_cids=[7284]; 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 |
| 252,058 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | rdkit_pre_consensus from 'CCC(C)C=O'; added: monoisotopic_mass |
| 256,236 | chebi_altlabels | altLabel | [] | [{"@value":"2-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,140 | consensus_match | prefLabel | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"2-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=96-17-3; cc_chebi_agreed_name='2-Methylbutanal'; object_uuid=fo-2e61d507418b508e |
| 261,141 | consensus_match | altLabel | [{"@value":"2-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | cas=96-17-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-2e61d507418b508e |
| 261,142 | consensus_match | altLabel | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | group_key=2-methylbutyraldehyde||dimension=Environmental > media=Water > water_body=Unknown; cas=96-17-3; added Common Chemistry CAS names as altLabel: (<em>RS</em>)-2-Methylbutanal, (±)-2-Methylbutanal, (±)-2-Methylbutyraldehyde, 2-Ethylpropanal, 2-Formylbutane, 2-Methylbutyric aldehyde, Butanal, 2-methyl-, Butyraldehyde, 2-methyl-, Butyraldehyde, α-methyl-, NSC 77077, α-Methyl-<em>n</em>-butanal, α-Methylbutanal, α-Methylbutyraldehyde, α-Methylbutyric aldehyde; object_uuid=fo-2e61d507418b508e |
| 261,143 | consensus_match | cas_match_labels | — | {"96-17-3":"exactMatch"} | group_key=2-methylbutyraldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'96-17-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2e61d507418b508e: {'96-17-3': 'exactMatch'} |
| 277,256 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-Methylbutanal' |
| 283,923 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | rdkit_post_consensus from 'CCC(C)C=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,075 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"2-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 77077' (registry code) |
| 307,064 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/17604e40-297d-… | associations resolved on the elementary layer |
| 391,605 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O"],"… | typed the way the ontology types it |
| 399,714 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260821T1302361922970000/13727 | prefLabel | ef:agent/bootstrap_labels | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v0 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v1 |
| ef:activity/change/20260821T1302361922970000/13728 | name | ef:agent/bootstrap_labels | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v1 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v2 |
| ef:activity/change/20260821T1302361922970000/13729 | synonyms | ef:agent/bootstrap_labels | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v2 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v3 |
| ef:activity/change/20260821T1302361922970000/52074 | context | ef:agent/default_context_mapping | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v3 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v4 |
| ef:activity/change/20260821T1302361922970000/52075 | context_iri | ef:agent/default_context_mapping | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v4 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v5 |
| ef:activity/change/20260821T1302361922970000/217874 | unit_iri | ef:agent/unit_normalization | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v5 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v6 |
| ef:activity/change/20260821T1302361922970000/240182 | properties | ef:agent/enrich_references | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v6 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v7 |
| ef:activity/change/20260821T1302361922970000/240183 | skos_definition | ef:agent/enrich_references | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v7 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v8 |
| ef:activity/change/20260821T1302361922970000/240184 | references | ef:agent/enrich_references | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v8 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v9 |
| ef:activity/change/20260821T1302361922970000/252058 | properties | ef:agent/rdkit_pre_consensus | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v9 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v10 |
| ef:activity/change/20260821T1302361922970000/256236 | altLabel | ef:agent/chebi_altlabels | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v10 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v11 |
| ef:activity/change/20260821T1302361922970000/261140 | prefLabel | ef:agent/consensus_match | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v11 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v12 |
| ef:activity/change/20260821T1302361922970000/261141 | altLabel | ef:agent/consensus_match | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v12 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v13 |
| ef:activity/change/20260821T1302361922970000/261142 | altLabel | ef:agent/consensus_match | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v13 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v14 |
| ef:activity/change/20260821T1302361922970000/261143 | cas_match_labels | ef:agent/consensus_match | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v14 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v15 |
| ef:activity/change/20260821T1302361922970000/277256 | properties | ef:agent/opsin_iupac | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v15 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v16 |
| ef:activity/change/20260821T1302361922970000/283923 | properties | ef:agent/rdkit_post_consensus | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v16 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v17 |
| ef:activity/change/20260821T1302361922970000/290075 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v17 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v18 |
| ef:activity/change/20260821T1302361922970000/307064 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v18 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v19 |
| ef:activity/change/20260821T1302361922970000/391605 | properties | ef:agent/normalise_property_values | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v19 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v20 |
| ef:activity/change/20260821T1302361922970000/399714 | types | ef:agent/link_flows_to_their_substance | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v20 | ef:flow/17604e40-297d-4ac8-b350-5ab54bbea936/v21 |