3-dimethylaminopropiononitrile
Everything that changed this flow. Back to the flow
69260701-784e-4bd3-8d4c-9b632f74f9a9
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 232' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-dimethylaminopropiononitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1738-25-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bce5b5f6ef7008da: {'1738-25-6': '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=['1738-25-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[15615, 219145, 1549177]; selected_pubchem_cids=[15615]; 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 |
|---|---|---|---|---|---|
| 6,003 | bootstrap_labels | prefLabel | — | [{"@value":"3-dimethylaminopropiononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:w… | Bootstrapped prefLabel from legacy name field |
| 6,004 | bootstrap_labels | name | 3-dimethylaminopropiononitrile | — | Purged legacy name field to enforce prefLabel usage |
| 6,005 | bootstrap_labels | synonyms | [".beta.-(Dimethylamino)propionitrile",".beta.-(N-Dimethylamino)propionitrile","2-Dimethylaminoethyl cyanide","3-(DIMET… | [] | Removed legacy synonyms field in favor of structured labels |
| 112,440 | 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 |
| 112,441 | 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 |
| 215,344 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,953 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,954 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,955 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J51.099H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['1738-25-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[15615, 219145, 1549177]; selected_pubchem_cids=[15615]; 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 |
| 249,980 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | rdkit_pre_consensus from 'CN(C)CCC#N'; added: molecular_mass, monoisotopic_mass |
| 261,995 | consensus_match | altLabel | [] | [{"@value":"3-(<em>N</em>,<em>N</em>-Dimethylamino)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"con… | group_key=3-dimethylaminopropiononitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1738-25-6; added Common Chemistry CAS names as altLabel: 3-(<em>N</em>,<em>N</em>-Dimethylamino)propionitrile, 3-(Dimethylamino)propanenitrile, 3-(Dimethylamino)propionitrile, <em>N</em>,<em>N</em>-Dimethyl-2-cyanoethylamine, <em>N</em>,<em>N</em>-Dimethylamino-3-propionitrile, DMAPN, Dimethylaminopropionitrile, NSC 232, Propanenitrile, 3-(dimethylamino)-, Propionitrile, 3-(dimethylamino)-, β-(Dimethylamino)propionitrile, β-<em>N</em>-Dimethylaminopropionitrile; object_uuid=fo-bce5b5f6ef7008da |
| 261,996 | consensus_match | cas_match_labels | — | {"1738-25-6":"exactMatch"} | group_key=3-dimethylaminopropiononitrile||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1738-25-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bce5b5f6ef7008da: {'1738-25-6': 'exactMatch'} |
| 275,113 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-dimethylaminopropiononitrile' |
| 281,610 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | rdkit_post_consensus from 'CN(C)CCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,478 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(<em>N</em>,<em>N</em>-Dimethylamino)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"con… | [{"@value":"3-(N,N-Dimethylamino)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pro… | Removed 1 catalogue altLabel value(s): 'NSC 232' (registry code) |
| 337,219 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/69260701-784e-… | associations resolved on the elementary layer |
| 389,421 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N2"],… | typed the way the ontology types it |
| 396,565 | 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/20260821T1554374006150000/6003 | prefLabel | ef:agent/bootstrap_labels | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v0 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v1 |
| ef:activity/change/20260821T1554374006150000/6004 | name | ef:agent/bootstrap_labels | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v1 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v2 |
| ef:activity/change/20260821T1554374006150000/6005 | synonyms | ef:agent/bootstrap_labels | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v2 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v3 |
| ef:activity/change/20260821T1554374006150000/112440 | context | ef:agent/default_context_mapping | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v3 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v4 |
| ef:activity/change/20260821T1554374006150000/112441 | context_iri | ef:agent/default_context_mapping | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v4 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v5 |
| ef:activity/change/20260821T1554374006150000/215344 | unit_iri | ef:agent/unit_normalization | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v5 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v6 |
| ef:activity/change/20260821T1554374006150000/232953 | properties | ef:agent/enrich_references | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v6 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v7 |
| ef:activity/change/20260821T1554374006150000/232954 | skos_definition | ef:agent/enrich_references | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v7 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v8 |
| ef:activity/change/20260821T1554374006150000/232955 | references | ef:agent/enrich_references | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v8 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v9 |
| ef:activity/change/20260821T1554374006150000/249980 | properties | ef:agent/rdkit_pre_consensus | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v9 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v10 |
| ef:activity/change/20260821T1554374006150000/261995 | altLabel | ef:agent/consensus_match | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v10 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v11 |
| ef:activity/change/20260821T1554374006150000/261996 | cas_match_labels | ef:agent/consensus_match | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v11 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v12 |
| ef:activity/change/20260821T1554374006150000/275113 | properties | ef:agent/opsin_iupac | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v12 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v13 |
| ef:activity/change/20260821T1554374006150000/281610 | properties | ef:agent/rdkit_post_consensus | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v13 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v14 |
| ef:activity/change/20260821T1554374006150000/288478 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v14 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v15 |
| ef:activity/change/20260821T1554374006150000/337219 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v15 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v16 |
| ef:activity/change/20260821T1554374006150000/389421 | properties | ef:agent/normalise_property_values | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v16 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v17 |
| ef:activity/change/20260821T1554374006150000/396565 | types | ef:agent/link_flows_to_their_substance | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v17 | ef:flow/69260701-784e-4bd3-8d4c-9b632f74f9a9/v18 |