3-Methylbutanal
Everything that changed this flow. Back to the flow
41409491-0176-4034-a1dc-87d6db0c0946
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 404119' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=590-86-3; cc_chebi_agreed_name='3-Methylbutanal'; object_uuid=fo-afd3a89e7a65c37c |
| cas_match_labels | 1 | consensus_match | group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'590-86-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afd3a89e7a65c37c: {'590-86-3': '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 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=['590-86-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16638']; candidate_pubchem_cids=[11552, 93643, 87397125]; selected_pubchem_cids=[11552]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 994 | bootstrap_labels | prefLabel | — | [{"@value":"isovaleraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 995 | bootstrap_labels | name | isovaleraldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 996 | bootstrap_labels | synonyms | [".beta.-Methylbutanal","1-Butanal, 3-methyl-","2-Methylbutanal-4","3-Methyl butyraldehyde","3-Methyl-1-butanal","3-Met… | [] | Removed legacy synonyms field in favor of structured labels |
| 80,250 | 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) |
| 80,251 | 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) |
| 213,666 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,324 | normalize_name_case | prefLabel | [{"@value":"isovaleraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Isovaleraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,124 | 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) |
| 228,125 | enrich_references | skos_definition | — | [{"@value":"A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile consti… | Merged ChEBI/PubChem definitions into skos:definition |
| 228,126 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.754G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['590-86-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16638']; candidate_pubchem_cids=[11552, 93643, 87397125]; selected_pubchem_cids=[11552]; 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 |
| 248,585 | 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 'CC(C)CC=O'; added: monoisotopic_mass |
| 254,502 | chebi_altlabels | altLabel | [] | [{"@value":"3-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,221 | consensus_match | prefLabel | [{"@value":"Isovaleraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"3-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=590-86-3; cc_chebi_agreed_name='3-Methylbutanal'; object_uuid=fo-afd3a89e7a65c37c |
| 268,222 | consensus_match | altLabel | [{"@value":"3-Methylbutanal","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"3-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | cas=590-86-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-afd3a89e7a65c37c |
| 268,223 | consensus_match | altLabel | [{"@value":"3-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"3-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Long-term; cas=590-86-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butanal, <em>iso</em>-Valeraldehyde, Butanal, 3-methyl-, Butyraldehyde, 3-methyl-, Isoamylaldehyde, Isopentanal, Isovaleric aldehyde, NSC 404119, β-Methylbutanal; object_uuid=fo-afd3a89e7a65c37c |
| 268,224 | consensus_match | cas_match_labels | — | {"590-86-3":"exactMatch"} | group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'590-86-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afd3a89e7a65c37c: {'590-86-3': 'exactMatch'} |
| 273,708 | 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 '3-Methylbutanal' |
| 280,082 | 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 'CC(C)CC=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,447 | strip_catalogue_altlabels | altLabel | [{"@value":"3-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | [{"@value":"3-methylbutyraldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 404119' (registry code) |
| 321,131 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/41409491-0176-… | associations resolved on the elementary layer |
| 387,982 | 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 |
| 394,551 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260820T1812399309960000/994 | prefLabel | ef:agent/bootstrap_labels | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v0 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v1 |
| ef:activity/change/20260820T1812399309960000/995 | name | ef:agent/bootstrap_labels | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v1 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v2 |
| ef:activity/change/20260820T1812399309960000/996 | synonyms | ef:agent/bootstrap_labels | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v2 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v3 |
| ef:activity/change/20260820T1812399309960000/80250 | context | ef:agent/default_context_mapping | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v3 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v4 |
| ef:activity/change/20260820T1812399309960000/80251 | context_iri | ef:agent/default_context_mapping | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v4 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v5 |
| ef:activity/change/20260820T1812399309960000/213666 | unit_iri | ef:agent/unit_normalization | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v5 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v6 |
| ef:activity/change/20260820T1812399309960000/221324 | prefLabel | ef:agent/normalize_name_case | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v6 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v7 |
| ef:activity/change/20260820T1812399309960000/228124 | properties | ef:agent/enrich_references | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v7 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v8 |
| ef:activity/change/20260820T1812399309960000/228125 | skos_definition | ef:agent/enrich_references | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v8 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v9 |
| ef:activity/change/20260820T1812399309960000/228126 | references | ef:agent/enrich_references | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v9 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v10 |
| ef:activity/change/20260820T1812399309960000/248585 | properties | ef:agent/rdkit_pre_consensus | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v10 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v11 |
| ef:activity/change/20260820T1812399309960000/254502 | altLabel | ef:agent/chebi_altlabels | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v11 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v12 |
| ef:activity/change/20260820T1812399309960000/268221 | prefLabel | ef:agent/consensus_match | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v12 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v13 |
| ef:activity/change/20260820T1812399309960000/268222 | altLabel | ef:agent/consensus_match | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v13 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v14 |
| ef:activity/change/20260820T1812399309960000/268223 | altLabel | ef:agent/consensus_match | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v14 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v15 |
| ef:activity/change/20260820T1812399309960000/268224 | cas_match_labels | ef:agent/consensus_match | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v15 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v16 |
| ef:activity/change/20260820T1812399309960000/273708 | properties | ef:agent/opsin_iupac | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v16 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v17 |
| ef:activity/change/20260820T1812399309960000/280082 | properties | ef:agent/rdkit_post_consensus | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v17 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v18 |
| ef:activity/change/20260820T1812399309960000/287447 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v18 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v19 |
| ef:activity/change/20260820T1812399309960000/321131 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v19 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v20 |
| ef:activity/change/20260820T1812399309960000/387982 | properties | ef:agent/normalise_property_values | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v20 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v21 |
| ef:activity/change/20260820T1812399309960000/394551 | types | ef:agent/link_flows_to_their_substance | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v21 | ef:flow/41409491-0176-4034-a1dc-87d6db0c0946/v22 |