3-methyl-2-butenal
Everything that changed this flow. Back to the flow
276a5076-f923-4d60-b858-bc074c3d1d08
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 149164' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-methyl-2-butenal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-86-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a62e1ca1d6a3b4f: {'107-86-8': '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 water > Emissions to water, unspecified |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-86-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15825']; candidate_pubchem_cids=[11188, 61020, 24730342]; selected_pubchem_cids=[61020]; 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 |
|---|---|---|---|---|---|
| 19,361 | bootstrap_labels | prefLabel | — | [{"@value":"3-methyl-2-butenal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 19,362 | bootstrap_labels | name | 3-methyl-2-butenal | — | Purged legacy name field to enforce prefLabel usage |
| 19,363 | bootstrap_labels | synonyms | [".beta.,.beta.-Dimethylacrolein",".beta.-Methylcrotonaldehyde","2-BUTENAL, 3-METHYL-","3,3-Dimethyl-acrylaldehyde","3,… | [] | Removed legacy synonyms field in favor of structured labels |
| 62,484 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 62,485 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,644 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,184 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,185 | enrich_references | skos_definition | — | [{"@value":"An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.","@… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,186 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.338F","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['107-86-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15825']; candidate_pubchem_cids=[11188, 61020, 24730342]; selected_pubchem_cids=[61020]; 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 |
| 253,505 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | rdkit_pre_consensus from 'CC(=CC=O)C'; added: monoisotopic_mass |
| 256,893 | chebi_altlabels | altLabel | [] | [{"@value":"3,3-Dimethyl-acrylaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,093 | consensus_match | altLabel | [{"@value":"3,3-Dimethyl-acrylaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"3,3-Dimethyl-acrylaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | group_key=3-methyl-2-butenal||dimension=Environmental > media=Water > water_body=Unknown; cas=107-86-8; added Common Chemistry CAS names as altLabel: 2-Butenal, 3-methyl-, 2-Methyl-2-buten-4-al, 3,3-Dimethylacrylaldehyde, 3-Methyl-2-buten-1-al, 3-Methyl-2-butenaldehyde, Crotonaldehyde, 3-methyl-, NSC 149164, Prenylaldehyde, β,β-Dimethylacrolein, β,β-Dimethylacrylic aldehyde, β-Methylcrotonaldehyde; object_uuid=fo-1a62e1ca1d6a3b4f |
| 262,094 | consensus_match | cas_match_labels | — | {"107-86-8":"exactMatch"} | group_key=3-methyl-2-butenal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-86-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a62e1ca1d6a3b4f: {'107-86-8': 'exactMatch'} |
| 278,721 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-methyl-2-butenal' |
| 285,504 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | rdkit_post_consensus from 'CC(C)=CC=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,149 | strip_catalogue_altlabels | altLabel | [{"@value":"3,3-Dimethyl-acrylaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | [{"@value":"3,3-Dimethyl-acrylaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAtt… | Removed 1 catalogue altLabel value(s): 'NSC 149164' (registry code) |
| 312,260 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/276a5076-f923-… | associations resolved on the elementary layer |
| 393,089 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H8O"],"a… | typed the way the ontology types it |
| 401,865 | 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/20260821T1554374006150000/19361 | prefLabel | ef:agent/bootstrap_labels | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v0 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v1 |
| ef:activity/change/20260821T1554374006150000/19362 | name | ef:agent/bootstrap_labels | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v1 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v2 |
| ef:activity/change/20260821T1554374006150000/19363 | synonyms | ef:agent/bootstrap_labels | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v2 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v3 |
| ef:activity/change/20260821T1554374006150000/62484 | context | ef:agent/default_context_mapping | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v3 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v4 |
| ef:activity/change/20260821T1554374006150000/62485 | context_iri | ef:agent/default_context_mapping | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v4 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v5 |
| ef:activity/change/20260821T1554374006150000/219644 | unit_iri | ef:agent/unit_normalization | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v5 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v6 |
| ef:activity/change/20260821T1554374006150000/245184 | properties | ef:agent/enrich_references | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v6 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v7 |
| ef:activity/change/20260821T1554374006150000/245185 | skos_definition | ef:agent/enrich_references | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v7 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v8 |
| ef:activity/change/20260821T1554374006150000/245186 | references | ef:agent/enrich_references | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v8 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v9 |
| ef:activity/change/20260821T1554374006150000/253505 | properties | ef:agent/rdkit_pre_consensus | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v9 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v10 |
| ef:activity/change/20260821T1554374006150000/256893 | altLabel | ef:agent/chebi_altlabels | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v10 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v11 |
| ef:activity/change/20260821T1554374006150000/262093 | altLabel | ef:agent/consensus_match | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v11 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v12 |
| ef:activity/change/20260821T1554374006150000/262094 | cas_match_labels | ef:agent/consensus_match | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v12 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v13 |
| ef:activity/change/20260821T1554374006150000/278721 | properties | ef:agent/opsin_iupac | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v13 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v14 |
| ef:activity/change/20260821T1554374006150000/285504 | properties | ef:agent/rdkit_post_consensus | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v14 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v15 |
| ef:activity/change/20260821T1554374006150000/291149 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v15 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v16 |
| ef:activity/change/20260821T1554374006150000/312260 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v16 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v17 |
| ef:activity/change/20260821T1554374006150000/393089 | properties | ef:agent/normalise_property_values | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v17 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v18 |
| ef:activity/change/20260821T1554374006150000/401865 | types | ef:agent/link_flows_to_their_substance | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v18 | ef:flow/276a5076-f923-4d60-b858-bc074c3d1d08/v19 |