2-hydroxy-4-(methylsulfanyl)butanenitrile
Everything that changed this flow. Back to the flow
1132f7db-0425-4ec8-a1a2-93734f32b925
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-hydroxy-4-(methylsulfanyl)butanenitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17773-41-0; added Common Chemistry CAS names as altLabel: 1-Hydroxy-3-methylthiopropanecarbonitrile, 2-Hydroxy-4-(methylthio)butanenitrile, 2-Hydroxy-4-(methylthio)butyronitrile, 3-(Methylmercapto)propionaldehyde cyanohydrin, 4-(Methylthio)-2-hydroxybutyronitrile, Butanenitrile, 2-hydroxy-4-(methylthio)-, Butyronitrile, 2-hydroxy-4-(methylthio)-, α-Hydroxy-4-(methylthio)butyronitrile; object_uuid=fo-b7f1975cad1e49ff |
| cas_match_labels | 1 | consensus_match | group_key=2-hydroxy-4-(methylsulfanyl)butanenitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'17773-41-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7f1975cad1e49ff: {'17773-41-0': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['17773-41-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[87302]; selected_pubchem_cids=[87302]; 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 |
|---|---|---|---|---|---|
| 13,245 | bootstrap_labels | prefLabel | — | [{"@value":"2-hydroxy-4-(methylsulfanyl)butanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 13,246 | bootstrap_labels | name | 2-hydroxy-4-(methylsulfanyl)butanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 13,247 | bootstrap_labels | synonyms | ["organic","2-hydroxy-4-(methylthio)butyronitrile","hmtbn97%"] | [] | Removed legacy synonyms field in favor of structured labels |
| 47,504 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 47,505 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,717 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,738 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,739 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,740 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.742H","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['17773-41-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[87302]; selected_pubchem_cids=[87302]; 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 |
| 251,926 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | rdkit_pre_consensus from 'CSCCC(C#N)O'; added: molecular_mass, monoisotopic_mass |
| 260,909 | consensus_match | altLabel | [] | [{"@value":"1-Hydroxy-3-methylthiopropanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=2-hydroxy-4-(methylsulfanyl)butanenitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=17773-41-0; added Common Chemistry CAS names as altLabel: 1-Hydroxy-3-methylthiopropanecarbonitrile, 2-Hydroxy-4-(methylthio)butanenitrile, 2-Hydroxy-4-(methylthio)butyronitrile, 3-(Methylmercapto)propionaldehyde cyanohydrin, 4-(Methylthio)-2-hydroxybutyronitrile, Butanenitrile, 2-hydroxy-4-(methylthio)-, Butyronitrile, 2-hydroxy-4-(methylthio)-, α-Hydroxy-4-(methylthio)butyronitrile; object_uuid=fo-b7f1975cad1e49ff |
| 260,910 | consensus_match | cas_match_labels | — | {"17773-41-0":"exactMatch"} | group_key=2-hydroxy-4-(methylsulfanyl)butanenitrile||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'17773-41-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b7f1975cad1e49ff: {'17773-41-0': 'exactMatch'} |
| 277,122 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-hydroxy-4-(methylsulfanyl)butanenitrile' |
| 283,782 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | rdkit_post_consensus from 'CSCCC(O)C#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 304,780 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1132f7db-0425-… | associations resolved on the elementary layer |
| 391,471 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H9NOS"],… | typed the way the ontology types it |
| 399,520 | 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/20260821T1302361922970000/13245 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v0 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v1 |
| ef:activity/change/20260821T1302361922970000/13246 | name | ef:agent/bootstrap_labels | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v1 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v2 |
| ef:activity/change/20260821T1302361922970000/13247 | synonyms | ef:agent/bootstrap_labels | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v2 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v3 |
| ef:activity/change/20260821T1302361922970000/47504 | context | ef:agent/default_context_mapping | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v3 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v4 |
| ef:activity/change/20260821T1302361922970000/47505 | context_iri | ef:agent/default_context_mapping | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v4 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v5 |
| ef:activity/change/20260821T1302361922970000/217717 | unit_iri | ef:agent/unit_normalization | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v5 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v6 |
| ef:activity/change/20260821T1302361922970000/239738 | properties | ef:agent/enrich_references | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v6 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v7 |
| ef:activity/change/20260821T1302361922970000/239739 | skos_definition | ef:agent/enrich_references | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v7 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v8 |
| ef:activity/change/20260821T1302361922970000/239740 | references | ef:agent/enrich_references | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v8 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v9 |
| ef:activity/change/20260821T1302361922970000/251926 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v9 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v10 |
| ef:activity/change/20260821T1302361922970000/260909 | altLabel | ef:agent/consensus_match | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v10 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v11 |
| ef:activity/change/20260821T1302361922970000/260910 | cas_match_labels | ef:agent/consensus_match | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v11 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v12 |
| ef:activity/change/20260821T1302361922970000/277122 | properties | ef:agent/opsin_iupac | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v12 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v13 |
| ef:activity/change/20260821T1302361922970000/283782 | properties | ef:agent/rdkit_post_consensus | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v13 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v14 |
| ef:activity/change/20260821T1302361922970000/304780 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v14 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v15 |
| ef:activity/change/20260821T1302361922970000/391471 | properties | ef:agent/normalise_property_values | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v15 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v16 |
| ef:activity/change/20260821T1302361922970000/399520 | types | ef:agent/link_flows_to_their_substance | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v16 | ef:flow/1132f7db-0425-4ec8-a1a2-93734f32b925/v17 |