2-hydroxy-2-methylpropionitrile
Everything that changed this flow. Back to the flow
49dd4cd8-a89c-4ac7-9535-f7a1a1887362
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'NSC 131093' (registry code), 'NSC 7080' (registry code), 'NSC 977' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-hydroxy-2-methylpropionitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-86-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-46d75dbdc2be8f8b: {'75-86-5': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 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=['75-86-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15348']; candidate_pubchem_cids=[6406]; selected_pubchem_cids=[6406]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,187 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxy-2-methylpropionitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 6,188 | bootstrap_labels | name | 2-hydroxy-2-methylpropionitrile | — | Purged legacy name field to enforce prefLabel usage |
| 10,258 | bootstrap_labels | synonyms | [".alpha.-Hydroxyisobutyronitrile","2-Cyano-2-hydroxypropane","2-Cyano-2-propanol","2-Hydroxy-2-methylpropanenitrile","… | [] | Removed legacy synonyms field in favor of structured labels |
| 85,148 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 85,149 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 215,407 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,131 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,132 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,133 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.468K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['75-86-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_15348']; candidate_pubchem_cids=[6406]; selected_pubchem_cids=[6406]; 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 |
| 250,032 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | rdkit_pre_consensus from 'CC(C)(C#N)O'; added: monoisotopic_mass |
| 255,152 | chebi_altlabels | altLabel | [] | [{"@value":"2-Hydroxy-2-methylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 260,905 | consensus_match | altLabel | [{"@value":"2-Hydroxy-2-methylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"2-Hydroxy-2-methylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | group_key=2-hydroxy-2-methylpropionitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=75-86-5; added Common Chemistry CAS names as altLabel: 2-Cyano-2-hydroxypropane, 2-Cyano-2-propanol, 2-Hydroxy-2-cyanopropane, 2-Methyl-2-hydroxypropanenitrile, 2-Methyl-2-hydroxypropionitrile, 2-Propanone, cyanohydrin, Dimethyl ketone cyanohydrin, Lactonitrile, 2-methyl-, NSC 131093, NSC 7080, NSC 977, Propanenitrile, 2-hydroxy-2-methyl-, α-Hydroxyisobutyronitrile; object_uuid=fo-46d75dbdc2be8f8b |
| 260,906 | consensus_match | cas_match_labels | — | {"75-86-5":"exactMatch"} | group_key=2-hydroxy-2-methylpropionitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-86-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-46d75dbdc2be8f8b: {'75-86-5': 'exactMatch'} |
| 275,169 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-hydroxy-2-methylpropionitrile' |
| 281,667 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | rdkit_post_consensus from 'CC(C)(O)C#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,514 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Hydroxy-2-methylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | [{"@value":"2-Hydroxy-2-methylpropanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:… | Removed 3 catalogue altLabel value(s): 'NSC 131093' (registry code), 'NSC 7080' (registry code), 'NSC 977' (registry code) |
| 323,589 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/49dd4cd8-a89c-… | associations resolved on the elementary layer |
| 389,472 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7NO"],"… | typed the way the ontology types it |
| 396,641 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1302361922970000/6187 | prefLabel | ef:agent/bootstrap_labels | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v0 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v1 |
| ef:activity/change/20260821T1302361922970000/6188 | name | ef:agent/bootstrap_labels | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v1 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v2 |
| ef:activity/change/20260821T1302361922970000/10258 | synonyms | ef:agent/bootstrap_labels | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v2 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v3 |
| ef:activity/change/20260821T1302361922970000/85148 | context | ef:agent/default_context_mapping | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v3 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v4 |
| ef:activity/change/20260821T1302361922970000/85149 | context_iri | ef:agent/default_context_mapping | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v4 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v5 |
| ef:activity/change/20260821T1302361922970000/215407 | unit_iri | ef:agent/unit_normalization | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v5 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v6 |
| ef:activity/change/20260821T1302361922970000/233131 | properties | ef:agent/enrich_references | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v6 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v7 |
| ef:activity/change/20260821T1302361922970000/233132 | skos_definition | ef:agent/enrich_references | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v7 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v8 |
| ef:activity/change/20260821T1302361922970000/233133 | references | ef:agent/enrich_references | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v8 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v9 |
| ef:activity/change/20260821T1302361922970000/250032 | properties | ef:agent/rdkit_pre_consensus | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v9 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v10 |
| ef:activity/change/20260821T1302361922970000/255152 | altLabel | ef:agent/chebi_altlabels | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v10 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v11 |
| ef:activity/change/20260821T1302361922970000/260905 | altLabel | ef:agent/consensus_match | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v11 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v12 |
| ef:activity/change/20260821T1302361922970000/260906 | cas_match_labels | ef:agent/consensus_match | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v12 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v13 |
| ef:activity/change/20260821T1302361922970000/275169 | properties | ef:agent/opsin_iupac | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v13 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v14 |
| ef:activity/change/20260821T1302361922970000/281667 | properties | ef:agent/rdkit_post_consensus | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v14 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v15 |
| ef:activity/change/20260821T1302361922970000/288514 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v15 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v16 |
| ef:activity/change/20260821T1302361922970000/323589 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v16 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v17 |
| ef:activity/change/20260821T1302361922970000/389472 | properties | ef:agent/normalise_property_values | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v17 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v18 |
| ef:activity/change/20260821T1302361922970000/396641 | types | ef:agent/link_flows_to_their_substance | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v18 | ef:flow/49dd4cd8-a89c-4ac7-9535-f7a1a1887362/v19 |