But-3-enenitrile
Everything that changed this flow. Back to the flow
e00dbdf5-5a93-417e-a80c-f182559db01b
By field
14 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 2583' (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=but-3-enenitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-75-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c0d33aff1521a66: {'109-75-1': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-75-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183063']; candidate_pubchem_cids=[7855, 8009, 243185, 522708]; selected_pubchem_cids=[8009]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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 |
|---|---|---|---|---|---|
| 20,930 | bootstrap_labels | prefLabel | — | [{"@value":"but-3-enenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 20,931 | bootstrap_labels | name | but-3-enenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 22,901 | bootstrap_labels | synonyms | [".beta.-Butenonitrile","1-Butene-4-nitrile","2-Butenol-1","3-BUTENENITRILE","3-Butenonitrile","3-Butenylnitrile","3-Cy… | [] | Removed legacy synonyms field in favor of structured labels |
| 183,246 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 183,247 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 220,099 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,843 | normalize_name_case | prefLabel | [{"@value":"but-3-enenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"But-3-enenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,454 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,455 | enrich_references | skos_definition | — | [{"@value":"An aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.","… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,456 | enrich_references | references | [] | [{"@id":"agr:IND44601542","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['109-75-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_183063']; candidate_pubchem_cids=[7855, 8009, 243185, 522708]; selected_pubchem_cids=[8009]; 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 |
| 253,887 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | rdkit_pre_consensus from 'C=CCC#N'; added: monoisotopic_mass |
| 257,054 | chebi_altlabels | altLabel | [] | [{"@value":"1-butene-4-nitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Added 10 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,525 | consensus_match | altLabel | [{"@value":"1-butene-4-nitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"1-butene-4-nitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | group_key=but-3-enenitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=109-75-1; added Common Chemistry CAS names as altLabel: 1-Butene-3-nitrile, 2-Propenyl cyanide, Allyl cyanide, NSC 2583, β-Butenonitrile; object_uuid=fo-9c0d33aff1521a66 |
| 264,526 | consensus_match | cas_match_labels | — | {"109-75-1":"exactMatch"} | group_key=but-3-enenitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-75-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c0d33aff1521a66: {'109-75-1': 'exactMatch'} |
| 279,086 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'But-3-enenitrile' |
| 285,934 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | rdkit_post_consensus from 'C=CCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,415 | strip_catalogue_altlabels | altLabel | [{"@value":"1-butene-4-nitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | [{"@value":"1-butene-4-nitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedT… | Removed 1 catalogue altLabel value(s): 'NSC 2583' (registry code) |
| 372,670 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e00dbdf5-5a93-… | associations resolved on the elementary layer |
| 393,486 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H5N"],"a… | typed the way the ontology types it |
| 402,466 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 402,467 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_22583","rdfs:label":"antifeedant","http://www.w3.org/2004/02/skos/core#de… | 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/20260820T1416470405690000/20930 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v0 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v1 |
| ef:activity/change/20260820T1416470405690000/20931 | name | ef:agent/bootstrap_labels | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v1 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v2 |
| ef:activity/change/20260820T1416470405690000/22901 | synonyms | ef:agent/bootstrap_labels | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v2 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v3 |
| ef:activity/change/20260820T1416470405690000/183246 | context | ef:agent/default_context_mapping | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v3 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v4 |
| ef:activity/change/20260820T1416470405690000/183247 | context_iri | ef:agent/default_context_mapping | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v4 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v5 |
| ef:activity/change/20260820T1416470405690000/220099 | unit_iri | ef:agent/unit_normalization | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v5 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v6 |
| ef:activity/change/20260820T1416470405690000/225843 | prefLabel | ef:agent/normalize_name_case | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v6 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v7 |
| ef:activity/change/20260820T1416470405690000/246454 | properties | ef:agent/enrich_references | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v7 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v8 |
| ef:activity/change/20260820T1416470405690000/246455 | skos_definition | ef:agent/enrich_references | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v8 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v9 |
| ef:activity/change/20260820T1416470405690000/246456 | references | ef:agent/enrich_references | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v9 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v10 |
| ef:activity/change/20260820T1416470405690000/253887 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v10 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v11 |
| ef:activity/change/20260820T1416470405690000/257054 | altLabel | ef:agent/chebi_altlabels | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v11 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v12 |
| ef:activity/change/20260820T1416470405690000/264525 | altLabel | ef:agent/consensus_match | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v12 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v13 |
| ef:activity/change/20260820T1416470405690000/264526 | cas_match_labels | ef:agent/consensus_match | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v13 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v14 |
| ef:activity/change/20260820T1416470405690000/279086 | properties | ef:agent/opsin_iupac | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v14 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v15 |
| ef:activity/change/20260820T1416470405690000/285934 | properties | ef:agent/rdkit_post_consensus | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v15 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v16 |
| ef:activity/change/20260820T1416470405690000/291415 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v16 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v17 |
| ef:activity/change/20260820T1416470405690000/372670 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v17 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v18 |
| ef:activity/change/20260820T1416470405690000/393486 | properties | ef:agent/normalise_property_values | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v18 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v19 |
| ef:activity/change/20260820T1416470405690000/402466 | types | ef:agent/link_flows_to_their_substance | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v19 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v20 |
| ef:activity/change/20260820T1416470405690000/402467 | roles | ef:agent/link_flows_to_their_substance | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v20 | ef:flow/e00dbdf5-5a93-417e-a80c-f182559db01b/v21 |