Malononitrile
Everything that changed this flow. Back to the flow
a4eec711-8559-4ca6-9ad8-e93770e3df61
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 1 catalogue altLabel value(s): 'NSC 3769' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=malononitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-77-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9f3dd0ac2ae7eae: {'109-77-3': '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 air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-77-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33186']; candidate_pubchem_cids=[8010, 81097, 192732]; selected_pubchem_cids=[8010]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,992 | bootstrap_labels | prefLabel | — | [{"@value":"malononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 1,993 | bootstrap_labels | name | malononitrile | — | Purged legacy name field to enforce prefLabel usage |
| 23,587 | bootstrap_labels | synonyms | ["malononitrile","malononitrile (nominals)","malonic dinitrile","propanedinitrile","mdn","malonsã¤uredinitril","AB10024… | [] | Removed legacy synonyms field in favor of structured labels |
| 147,998 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 147,999 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 214,003 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,553 | normalize_name_case | prefLabel | [{"@value":"malononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Malononitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,094 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 229,095 | enrich_references | skos_definition | — | [{"@value":"A dinitrile that is methane substituted by two cyano groups.","@language":"en","provenance":{"prov:wasGener… | Merged ChEBI/PubChem definitions into skos:definition |
| 229,096 | enrich_references | references | [] | [{"@id":"gmelin:1303","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['109-77-3']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33186']; candidate_pubchem_cids=[8010, 81097, 192732]; selected_pubchem_cids=[8010]; 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 |
| 248,866 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | rdkit_pre_consensus from 'C(C#N)C#N'; added: monoisotopic_mass |
| 254,609 | chebi_altlabels | altLabel | [] | [{"@value":"Malonsaeuredinitril","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Added 4 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 268,514 | consensus_match | altLabel | [{"@value":"Malonsaeuredinitril","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"Malonsaeuredinitril","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | group_key=malononitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=109-77-3; added Common Chemistry CAS names as altLabel: Cyanoacetonitrile, Malondinitrile, Malonic acid dinitrile, Malonodinitrile, Methane, dicyano-, Methylene cyanide, Methylenedinitrile, NSC 3769; object_uuid=fo-f9f3dd0ac2ae7eae |
| 268,515 | consensus_match | cas_match_labels | — | {"109-77-3":"exactMatch"} | group_key=malononitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-77-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f9f3dd0ac2ae7eae: {'109-77-3': 'exactMatch'} |
| 273,987 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Malononitrile' |
| 280,391 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | rdkit_post_consensus from 'N#CCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,652 | strip_catalogue_altlabels | altLabel | [{"@value":"Malonsaeuredinitril","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | [{"@value":"Malonsaeuredinitril","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 3769' (registry code) |
| 355,021 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a4eec711-8559-… | associations resolved on the elementary layer |
| 388,280 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H2N2"],"… | typed the way the ontology types it |
| 394,945 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260822T0600486828500000/1992 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v0 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v1 |
| ef:activity/change/20260822T0600486828500000/1993 | name | ef:agent/bootstrap_labels | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v1 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v2 |
| ef:activity/change/20260822T0600486828500000/23587 | synonyms | ef:agent/bootstrap_labels | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v2 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v3 |
| ef:activity/change/20260822T0600486828500000/147998 | context | ef:agent/default_context_mapping | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v3 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v4 |
| ef:activity/change/20260822T0600486828500000/147999 | context_iri | ef:agent/default_context_mapping | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v4 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v5 |
| ef:activity/change/20260822T0600486828500000/214003 | unit_iri | ef:agent/unit_normalization | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v5 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v6 |
| ef:activity/change/20260822T0600486828500000/221553 | prefLabel | ef:agent/normalize_name_case | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v6 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v7 |
| ef:activity/change/20260822T0600486828500000/229094 | properties | ef:agent/enrich_references | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v7 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v8 |
| ef:activity/change/20260822T0600486828500000/229095 | skos_definition | ef:agent/enrich_references | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v8 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v9 |
| ef:activity/change/20260822T0600486828500000/229096 | references | ef:agent/enrich_references | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v9 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v10 |
| ef:activity/change/20260822T0600486828500000/248866 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v10 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v11 |
| ef:activity/change/20260822T0600486828500000/254609 | altLabel | ef:agent/chebi_altlabels | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v11 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v12 |
| ef:activity/change/20260822T0600486828500000/268514 | altLabel | ef:agent/consensus_match | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v12 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v13 |
| ef:activity/change/20260822T0600486828500000/268515 | cas_match_labels | ef:agent/consensus_match | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v13 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v14 |
| ef:activity/change/20260822T0600486828500000/273987 | properties | ef:agent/opsin_iupac | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v14 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v15 |
| ef:activity/change/20260822T0600486828500000/280391 | properties | ef:agent/rdkit_post_consensus | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v15 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v16 |
| ef:activity/change/20260822T0600486828500000/287652 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v16 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v17 |
| ef:activity/change/20260822T0600486828500000/355021 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v17 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v18 |
| ef:activity/change/20260822T0600486828500000/388280 | properties | ef:agent/normalise_property_values | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v18 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v19 |
| ef:activity/change/20260822T0600486828500000/394945 | types | ef:agent/link_flows_to_their_substance | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v19 | ef:flow/a4eec711-8559-4ca6-9ad8-e93770e3df61/v20 |