2-pyrrolidone
Everything that changed this flow. Back to the flow
9efb5227-a956-4923-af50-6e43a072ae22
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 2 catalogue altLabel value(s): 'NSC 4593' (registry code), 'NSC 8413' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=2-pyrrolidone||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'616-45-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0c8db423b6ab8db8: {'616-45-5': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 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=['616-45-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36592']; candidate_pubchem_cids=[12025]; selected_pubchem_cids=[12025]; 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 |
|---|---|---|---|---|---|
| 9,838 | bootstrap_labels | prefLabel | — | [{"@value":"2-pyrrolidone","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 9,839 | bootstrap_labels | name | 2-pyrrolidone | — | Purged legacy name field to enforce prefLabel usage |
| 9,840 | bootstrap_labels | synonyms | [".alpha.-Pyrrolidinone",".alpha.-Pyrrolidone",".gamma.-Aminobutyric lactam",".gamma.-Aminobutyrolactam",".gamma.-Butyr… | [] | Removed legacy synonyms field in favor of structured labels |
| 144,318 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 144,319 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,608 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 236,580 | 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) |
| 236,581 | enrich_references | skos_definition | — | [{"@value":"The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at… | Merged ChEBI/PubChem definitions into skos:definition |
| 236,582 | enrich_references | references | [] | [{"@id":"gmelin:49671","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['616-45-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_36592']; candidate_pubchem_cids=[12025]; selected_pubchem_cids=[12025]; 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 |
| 251,021 | 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 'C1CC(=O)NC1'; added: monoisotopic_mass |
| 255,788 | chebi_altlabels | altLabel | [] | [{"@value":"1-azacyclopentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 14 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,329 | consensus_match | altLabel | [{"@value":"1-azacyclopentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-azacyclopentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=2-pyrrolidone||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=616-45-5; added Common Chemistry CAS names as altLabel: 2-Oxo-4-butyrolactam, 2-Pyrol, 2-Tetrahydropyrrolone, Azacyclopentan-2-one, Butanoic acid, 4-amino-, lactam, Kollisolv PYR, NSC 4593, NSC 8413, Soluphor P, α-Pyrrolidinone, α-Pyrrolidone, γ-Aminobutyric acid lactam, γ-Aminobutyric lactam, γ-Aminobutyrolactam, γ-Butyrolactam; object_uuid=fo-0c8db423b6ab8db8 |
| 261,330 | consensus_match | cas_match_labels | — | {"616-45-5":"exactMatch"} | group_key=2-pyrrolidone||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'616-45-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0c8db423b6ab8db8: {'616-45-5': 'exactMatch'} |
| 276,205 | 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-pyrrolidone' |
| 282,788 | 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 'O=C1CCCN1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,316 | strip_catalogue_altlabels | altLabel | [{"@value":"1-azacyclopentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"1-azacyclopentan-2-one","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 2 catalogue altLabel value(s): 'NSC 4593' (registry code), 'NSC 8413' (registry code) |
| 353,159 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9efb5227-a956-… | associations resolved on the elementary layer |
| 390,550 | 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 |
| 398,206 | 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/20260821T1122181958110000/9838 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v0 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v1 |
| ef:activity/change/20260821T1122181958110000/9839 | name | ef:agent/bootstrap_labels | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v1 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v2 |
| ef:activity/change/20260821T1122181958110000/9840 | synonyms | ef:agent/bootstrap_labels | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v2 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v3 |
| ef:activity/change/20260821T1122181958110000/144318 | context | ef:agent/default_context_mapping | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v3 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v4 |
| ef:activity/change/20260821T1122181958110000/144319 | context_iri | ef:agent/default_context_mapping | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v4 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v5 |
| ef:activity/change/20260821T1122181958110000/216608 | unit_iri | ef:agent/unit_normalization | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v5 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v6 |
| ef:activity/change/20260821T1122181958110000/236580 | properties | ef:agent/enrich_references | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v6 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v7 |
| ef:activity/change/20260821T1122181958110000/236581 | skos_definition | ef:agent/enrich_references | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v7 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v8 |
| ef:activity/change/20260821T1122181958110000/236582 | references | ef:agent/enrich_references | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v8 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v9 |
| ef:activity/change/20260821T1122181958110000/251021 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v9 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v10 |
| ef:activity/change/20260821T1122181958110000/255788 | altLabel | ef:agent/chebi_altlabels | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v10 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v11 |
| ef:activity/change/20260821T1122181958110000/261329 | altLabel | ef:agent/consensus_match | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v11 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v12 |
| ef:activity/change/20260821T1122181958110000/261330 | cas_match_labels | ef:agent/consensus_match | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v12 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v13 |
| ef:activity/change/20260821T1122181958110000/276205 | properties | ef:agent/opsin_iupac | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v13 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v14 |
| ef:activity/change/20260821T1122181958110000/282788 | properties | ef:agent/rdkit_post_consensus | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v14 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v15 |
| ef:activity/change/20260821T1122181958110000/289316 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v15 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v16 |
| ef:activity/change/20260821T1122181958110000/353159 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v16 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v17 |
| ef:activity/change/20260821T1122181958110000/390550 | properties | ef:agent/normalise_property_values | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v17 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v18 |
| ef:activity/change/20260821T1122181958110000/398206 | types | ef:agent/link_flows_to_their_substance | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v18 | ef:flow/9efb5227-a956-4923-af50-6e43a072ae22/v19 |