2-methylpentanedinitrile
Everything that changed this flow. Back to the flow
a84edb58-152e-41e3-adb0-48f771469a83
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 | 1 | consensus_match | group_key=2-methylpentanedinitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=4553-62-2; added Common Chemistry CAS names as altLabel: 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylglutaronitrile, Diacrylonitrile, Dytek MGN, Glutaronitrile, 2-methyl-, Pentanedinitrile, 2-methyl-, α-Methylglutarodinitrile, α-Methylglutaronitrile; object_uuid=fo-83b79df47ff94195 |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpentanedinitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4553-62-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83b79df47ff94195: {'4553-62-2': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['4553-62-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[20686]; selected_pubchem_cids=[20686]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 19,533 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpentanedinitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 19,534 | bootstrap_labels | name | 2-methylpentanedinitrile | — | Purged legacy name field to enforce prefLabel usage |
| 19,535 | bootstrap_labels | synonyms | ["organic","2-methylglutaronitrile","mgn"] | [] | Removed legacy synonyms field in favor of structured labels |
| 149,906 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 149,907 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 219,694 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 245,327 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,328 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,329 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J14.515G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['4553-62-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[20686]; selected_pubchem_cids=[20686]; 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 |
| 253,548 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | rdkit_pre_consensus from 'CC(CCC#N)C#N'; added: molecular_mass, monoisotopic_mass |
| 261,176 | consensus_match | altLabel | [] | [{"@value":"1,3-Dicyanobutane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | group_key=2-methylpentanedinitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=4553-62-2; added Common Chemistry CAS names as altLabel: 1,3-Dicyanobutane, 2,4-Dicyanobutane, 2-Methylglutaronitrile, Diacrylonitrile, Dytek MGN, Glutaronitrile, 2-methyl-, Pentanedinitrile, 2-methyl-, α-Methylglutarodinitrile, α-Methylglutaronitrile; object_uuid=fo-83b79df47ff94195 |
| 261,177 | consensus_match | cas_match_labels | — | {"4553-62-2":"exactMatch"} | group_key=2-methylpentanedinitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4553-62-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-83b79df47ff94195: {'4553-62-2': 'exactMatch'} |
| 278,765 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methylpentanedinitrile' |
| 285,549 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | rdkit_post_consensus from 'CC(C#N)CCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 355,975 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a84edb58-152e-… | associations resolved on the elementary layer |
| 393,128 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H8N2"],"… | typed the way the ontology types it |
| 401,927 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260821T1302361922970000/19533 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v0 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v1 |
| ef:activity/change/20260821T1302361922970000/19534 | name | ef:agent/bootstrap_labels | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v1 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v2 |
| ef:activity/change/20260821T1302361922970000/19535 | synonyms | ef:agent/bootstrap_labels | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v2 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v3 |
| ef:activity/change/20260821T1302361922970000/149906 | context | ef:agent/default_context_mapping | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v3 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v4 |
| ef:activity/change/20260821T1302361922970000/149907 | context_iri | ef:agent/default_context_mapping | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v4 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v5 |
| ef:activity/change/20260821T1302361922970000/219694 | unit_iri | ef:agent/unit_normalization | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v5 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v6 |
| ef:activity/change/20260821T1302361922970000/245327 | properties | ef:agent/enrich_references | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v6 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v7 |
| ef:activity/change/20260821T1302361922970000/245328 | skos_definition | ef:agent/enrich_references | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v7 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v8 |
| ef:activity/change/20260821T1302361922970000/245329 | references | ef:agent/enrich_references | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v8 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v9 |
| ef:activity/change/20260821T1302361922970000/253548 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v9 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v10 |
| ef:activity/change/20260821T1302361922970000/261176 | altLabel | ef:agent/consensus_match | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v10 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v11 |
| ef:activity/change/20260821T1302361922970000/261177 | cas_match_labels | ef:agent/consensus_match | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v11 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v12 |
| ef:activity/change/20260821T1302361922970000/278765 | properties | ef:agent/opsin_iupac | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v12 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v13 |
| ef:activity/change/20260821T1302361922970000/285549 | properties | ef:agent/rdkit_post_consensus | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v13 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v14 |
| ef:activity/change/20260821T1302361922970000/355975 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v14 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v15 |
| ef:activity/change/20260821T1302361922970000/393128 | properties | ef:agent/normalise_property_values | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v15 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v16 |
| ef:activity/change/20260821T1302361922970000/401927 | types | ef:agent/link_flows_to_their_substance | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v16 | ef:flow/a84edb58-152e-41e3-adb0-48f771469a83/v17 |