3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile
Everything that changed this flow. Back to the flow
1a95721e-806b-4ecf-bff7-686ff2635df5
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 1 | consensus_match | group_key=3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=72162-47-1; added Common Chemistry CAS names as altLabel: 3-[[3-(Isodecyloxy)propyl]amino]propanenitrile, Propanenitrile, 3-[[3-(isodecyloxy)propyl]amino]-, Propionitrile, 3-[[3-(isodecyloxy)propyl]amino]-; object_uuid=fo-9f676b220ac76b4f |
| cas_match_labels | 1 | consensus_match | group_key=3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'72162-47-1': []}; assigned CAS labels from group consensus; object_uuid=fo-9f676b220ac76b4f: {'72162-47-1': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 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=['72162-47-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[3085734, 101617179]; selected_pubchem_cids=[3085734]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 16,572 | bootstrap_labels | prefLabel | — | [{"@value":"3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile","@language":"en","source":{"prov:wasGeneratedBy… | Bootstrapped prefLabel from legacy name field |
| 16,573 | bootstrap_labels | name | 3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile | — | Purged legacy name field to enforce prefLabel usage |
| 16,574 | bootstrap_labels | synonyms | ["propanenitrile,3-[[3-(isodecyloxy)propyl]amino]-othernamespropanenitrile,3-[[3-(isodecyloxy)propyl]amino]-","3-({3-[(… | [] | Removed legacy synonyms field in favor of structured labels |
| 54,076 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 54,077 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,778 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,762 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,763 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,764 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.226.073","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['72162-47-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[3085734, 101617179]; selected_pubchem_cids=[3085734]; 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 |
| 252,809 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | rdkit_pre_consensus from 'CC(C)CCCCCCCCOCCCNCCC#N'; added: molecular_mass, monoisotopic_mass |
| 261,864 | consensus_match | altLabel | [] | [{"@value":"3-[[3-(Isodecyloxy)propyl]amino]propanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus… | group_key=3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=72162-47-1; added Common Chemistry CAS names as altLabel: 3-[[3-(Isodecyloxy)propyl]amino]propanenitrile, Propanenitrile, 3-[[3-(isodecyloxy)propyl]amino]-, Propionitrile, 3-[[3-(isodecyloxy)propyl]amino]-; object_uuid=fo-9f676b220ac76b4f |
| 261,865 | consensus_match | cas_match_labels | — | {"72162-47-1":"exactMatch"} | group_key=3-[3-(decylalkyl-(branched)oxy)propylamino]propiononitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'72162-47-1': []}; assigned CAS labels from group consensus; object_uuid=fo-9f676b220ac76b4f: {'72162-47-1': 'exactMatch'} |
| 278,010 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-[[3-(Isodecyloxy)propyl]amino]propanenitrile' |
| 284,738 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C17H34N2O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32N2O"… | rdkit_post_consensus from 'CC(C)CCCCCCCOCCCNCCC#N'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,683 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32N2O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32N2O"… | withhold_contradicted_composition: the registry registers [(('C', 16), ('N', 2), ('O', 1))], contradicting ['C17H34N2O'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 308,065 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1a95721e-806b-… | associations resolved on the elementary layer |
| 392,366 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32N2O"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H32N2O"… | typed the way the ontology types it |
| 400,800 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1302361922970000/16572 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v0 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v1 |
| ef:activity/change/20260821T1302361922970000/16573 | name | ef:agent/bootstrap_labels | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v1 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v2 |
| ef:activity/change/20260821T1302361922970000/16574 | synonyms | ef:agent/bootstrap_labels | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v2 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v3 |
| ef:activity/change/20260821T1302361922970000/54076 | context | ef:agent/default_context_mapping | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v3 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v4 |
| ef:activity/change/20260821T1302361922970000/54077 | context_iri | ef:agent/default_context_mapping | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v4 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v5 |
| ef:activity/change/20260821T1302361922970000/218778 | unit_iri | ef:agent/unit_normalization | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v5 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v6 |
| ef:activity/change/20260821T1302361922970000/242762 | properties | ef:agent/enrich_references | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v6 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v7 |
| ef:activity/change/20260821T1302361922970000/242763 | skos_definition | ef:agent/enrich_references | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v7 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v8 |
| ef:activity/change/20260821T1302361922970000/242764 | references | ef:agent/enrich_references | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v8 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v9 |
| ef:activity/change/20260821T1302361922970000/252809 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v9 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v10 |
| ef:activity/change/20260821T1302361922970000/261864 | altLabel | ef:agent/consensus_match | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v10 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v11 |
| ef:activity/change/20260821T1302361922970000/261865 | cas_match_labels | ef:agent/consensus_match | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v11 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v12 |
| ef:activity/change/20260821T1302361922970000/278010 | properties | ef:agent/opsin_iupac | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v12 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v13 |
| ef:activity/change/20260821T1302361922970000/284738 | properties | ef:agent/rdkit_post_consensus | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v13 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v14 |
| ef:activity/change/20260821T1302361922970000/286683 | properties | ef:agent/withhold_contradicted_composition | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v14 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v15 |
| ef:activity/change/20260821T1302361922970000/308065 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v15 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v16 |
| ef:activity/change/20260821T1302361922970000/392366 | properties | ef:agent/normalise_property_values | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v16 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v17 |
| ef:activity/change/20260821T1302361922970000/400800 | types | ef:agent/link_flows_to_their_substance | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v17 | ef:flow/1a95721e-806b-4ecf-bff7-686ff2635df5/v18 |