2-amino-2,3-dimethylbutanenitrile
Everything that changed this flow. Back to the flow
8950eeaa-4053-46cc-8ac7-b3cf0c1fd657
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): 'AC 94149' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2-amino-2,3-dimethylbutanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'13893-53-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdd1d7cb16c366e7: {'13893-53-3': '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=['13893-53-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83696, 94355]; selected_pubchem_cids=[94355]; 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 |
|---|---|---|---|---|---|
| 5,223 | bootstrap_labels | prefLabel | — | [{"@value":"2-amino-2,3-dimethylbutanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 5,224 | bootstrap_labels | name | 2-amino-2,3-dimethylbutanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 5,225 | bootstrap_labels | synonyms | ["organic","butanenitrile,2-amino-2,3-dimethyl-"] | [] | Removed legacy synonyms field in favor of structured labels |
| 131,368 | 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 |
| 131,369 | 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 |
| 215,084 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 232,202 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,203 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,204 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.581.747J","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['13893-53-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83696, 94355]; selected_pubchem_cids=[94355]; 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 |
| 249,758 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | rdkit_pre_consensus from 'CC(C)C(C)(C#N)N'; added: molecular_mass, monoisotopic_mass |
| 260,478 | consensus_match | altLabel | [] | [{"@value":"(±)-2-Amino-2,3-dimethylbutyronitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=2-amino-2,3-dimethylbutanenitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=13893-53-3; added Common Chemistry CAS names as altLabel: (±)-2-Amino-2,3-dimethylbutyronitrile, (±)-2-Amino-2-cyano-3-methylbutane, 2-Amino-2,3-dimethylbutyronitrile, AC 94149, Butanenitrile, 2-amino-2,3-dimethyl-, Butyronitrile, 2-amino-2,3-dimethyl-; object_uuid=fo-fdd1d7cb16c366e7 |
| 260,479 | consensus_match | cas_match_labels | — | {"13893-53-3":"exactMatch"} | group_key=2-amino-2,3-dimethylbutanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'13893-53-3': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fdd1d7cb16c366e7: {'13893-53-3': 'exactMatch'} |
| 274,896 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-amino-2,3-dimethylbutanenitrile' |
| 281,367 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | rdkit_post_consensus from 'CC(C)C(C)(N)C#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,318 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2-Amino-2,3-dimethylbutyronitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | [{"@value":"(±)-2-Amino-2,3-dimethylbutyronitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | Removed 1 catalogue altLabel value(s): 'AC 94149' (grade code) |
| 346,677 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8950eeaa-4053-… | associations resolved on the elementary layer |
| 389,195 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12N2"],… | typed the way the ontology types it |
| 396,243 | 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/20260821T0609040591070000/5223 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v0 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v1 |
| ef:activity/change/20260821T0609040591070000/5224 | name | ef:agent/bootstrap_labels | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v1 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v2 |
| ef:activity/change/20260821T0609040591070000/5225 | synonyms | ef:agent/bootstrap_labels | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v2 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v3 |
| ef:activity/change/20260821T0609040591070000/131368 | context | ef:agent/default_context_mapping | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v3 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v4 |
| ef:activity/change/20260821T0609040591070000/131369 | context_iri | ef:agent/default_context_mapping | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v4 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v5 |
| ef:activity/change/20260821T0609040591070000/215084 | unit_iri | ef:agent/unit_normalization | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v5 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v6 |
| ef:activity/change/20260821T0609040591070000/232202 | properties | ef:agent/enrich_references | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v6 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v7 |
| ef:activity/change/20260821T0609040591070000/232203 | skos_definition | ef:agent/enrich_references | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v7 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v8 |
| ef:activity/change/20260821T0609040591070000/232204 | references | ef:agent/enrich_references | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v8 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v9 |
| ef:activity/change/20260821T0609040591070000/249758 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v9 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v10 |
| ef:activity/change/20260821T0609040591070000/260478 | altLabel | ef:agent/consensus_match | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v10 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v11 |
| ef:activity/change/20260821T0609040591070000/260479 | cas_match_labels | ef:agent/consensus_match | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v11 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v12 |
| ef:activity/change/20260821T0609040591070000/274896 | properties | ef:agent/opsin_iupac | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v12 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v13 |
| ef:activity/change/20260821T0609040591070000/281367 | properties | ef:agent/rdkit_post_consensus | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v13 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v14 |
| ef:activity/change/20260821T0609040591070000/288318 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v14 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v15 |
| ef:activity/change/20260821T0609040591070000/346677 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v15 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v16 |
| ef:activity/change/20260821T0609040591070000/389195 | properties | ef:agent/normalise_property_values | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v16 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v17 |
| ef:activity/change/20260821T0609040591070000/396243 | types | ef:agent/link_flows_to_their_substance | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v17 | ef:flow/8950eeaa-4053-46cc-8ac7-b3cf0c1fd657/v18 |