Propionitrile
Everything that changed this flow. Back to the flow
399fc65a-68b8-4b4e-a75c-916a7fe0f2c0
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 7966' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=107-12-0; cc_chebi_agreed_name='Propionitrile'; object_uuid=fo-a584996f95984520 |
| cas_match_labels | 1 | consensus_match | group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a584996f95984520: {'107-12-0': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['107-12-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_26307']; candidate_pubchem_cids=[7854, 77620809]; selected_pubchem_cids=[7854]; 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 |
|---|---|---|---|---|---|
| 19,345 | bootstrap_labels | prefLabel | — | [{"@value":"propiononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Bootstrapped prefLabel from legacy name field |
| 19,346 | bootstrap_labels | name | propiononitrile | — | Purged legacy name field to enforce prefLabel usage |
| 21,385 | bootstrap_labels | synonyms | ["propiononitrile","propanenitrile","propionitrile","propionsã¤urenitril","(C12-C18)Alkyl alkoxyethylenenitrile","AC1L1… | [] | Removed legacy synonyms field in favor of structured labels |
| 74,832 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 74,833 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 219,639 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,490 | normalize_name_case | prefLabel | [{"@value":"propiononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Propiononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,169 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 245,170 | enrich_references | skos_definition | — | [{"@value":"A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond.",… | Merged ChEBI/PubChem definitions into skos:definition |
| 245,171 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.054A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['107-12-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_26307']; candidate_pubchem_cids=[7854, 77620809]; selected_pubchem_cids=[7854]; 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 |
| 253,500 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | rdkit_pre_consensus from 'CCC#N'; added: monoisotopic_mass |
| 256,891 | chebi_altlabels | altLabel | [] | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,089 | consensus_match | prefLabel | [{"@value":"Propiononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo"… | [{"@value":"Propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"c… | cas=107-12-0; cc_chebi_agreed_name='Propionitrile'; object_uuid=fo-a584996f95984520 |
| 271,090 | consensus_match | altLabel | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | cas=107-12-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a584996f95984520 |
| 271,091 | consensus_match | altLabel | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=107-12-0; added Common Chemistry CAS names as altLabel: 1-Methylacetonitrile, Ether cyanatus, Hydrocyanic ether, NSC 7966, Propylnitrile; object_uuid=fo-a584996f95984520 |
| 271,092 | consensus_match | cas_match_labels | — | {"107-12-0":"exactMatch"} | group_key=propiononitrile||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a584996f95984520: {'107-12-0': 'exactMatch'} |
| 278,716 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propionitrile' |
| 285,499 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | rdkit_post_consensus from 'CCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,144 | strip_catalogue_altlabels | altLabel | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | [{"@value":"CH3CH2CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consen… | Removed 1 catalogue altLabel value(s): 'NSC 7966' (registry code) |
| 318,432 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/399fc65a-68b8-… | associations resolved on the elementary layer |
| 393,084 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5N"],"a… | typed the way the ontology types it |
| 401,860 | 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/20260821T1554374006150000/19345 | prefLabel | ef:agent/bootstrap_labels | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v0 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v1 |
| ef:activity/change/20260821T1554374006150000/19346 | name | ef:agent/bootstrap_labels | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v1 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v2 |
| ef:activity/change/20260821T1554374006150000/21385 | synonyms | ef:agent/bootstrap_labels | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v2 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v3 |
| ef:activity/change/20260821T1554374006150000/74832 | context | ef:agent/default_context_mapping | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v3 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v4 |
| ef:activity/change/20260821T1554374006150000/74833 | context_iri | ef:agent/default_context_mapping | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v4 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v5 |
| ef:activity/change/20260821T1554374006150000/219639 | unit_iri | ef:agent/unit_normalization | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v5 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v6 |
| ef:activity/change/20260821T1554374006150000/225490 | prefLabel | ef:agent/normalize_name_case | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v6 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v7 |
| ef:activity/change/20260821T1554374006150000/245169 | properties | ef:agent/enrich_references | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v7 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v8 |
| ef:activity/change/20260821T1554374006150000/245170 | skos_definition | ef:agent/enrich_references | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v8 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v9 |
| ef:activity/change/20260821T1554374006150000/245171 | references | ef:agent/enrich_references | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v9 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v10 |
| ef:activity/change/20260821T1554374006150000/253500 | properties | ef:agent/rdkit_pre_consensus | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v10 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v11 |
| ef:activity/change/20260821T1554374006150000/256891 | altLabel | ef:agent/chebi_altlabels | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v11 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v12 |
| ef:activity/change/20260821T1554374006150000/271089 | prefLabel | ef:agent/consensus_match | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v12 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v13 |
| ef:activity/change/20260821T1554374006150000/271090 | altLabel | ef:agent/consensus_match | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v13 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v14 |
| ef:activity/change/20260821T1554374006150000/271091 | altLabel | ef:agent/consensus_match | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v14 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v15 |
| ef:activity/change/20260821T1554374006150000/271092 | cas_match_labels | ef:agent/consensus_match | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v15 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v16 |
| ef:activity/change/20260821T1554374006150000/278716 | properties | ef:agent/opsin_iupac | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v16 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v17 |
| ef:activity/change/20260821T1554374006150000/285499 | properties | ef:agent/rdkit_post_consensus | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v17 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v18 |
| ef:activity/change/20260821T1554374006150000/291144 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v18 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v19 |
| ef:activity/change/20260821T1554374006150000/318432 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v19 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v20 |
| ef:activity/change/20260821T1554374006150000/393084 | properties | ef:agent/normalise_property_values | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v20 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v21 |
| ef:activity/change/20260821T1554374006150000/401860 | types | ef:agent/link_flows_to_their_substance | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v21 | ef:flow/399fc65a-68b8-4b4e-a75c-916a7fe0f2c0/v22 |