Pyrrolidine
Everything that changed this flow. Back to the flow
470966ca-eb40-494c-8fae-10efccef1f3f
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 62781' (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=pyrrolidine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-75-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-348d3b0c597f9f4f: {'123-75-1': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['123-75-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33135']; candidate_pubchem_cids=[31268, 3613359, 18547213, 19766491, 20262479]; selected_pubchem_cids=[31268]; 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 |
|---|---|---|---|---|---|
| 575 | bootstrap_labels | prefLabel | — | [{"@value":"pyrrolidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 576 | bootstrap_labels | name | pyrrolidine | — | Purged legacy name field to enforce prefLabel usage |
| 577 | bootstrap_labels | synonyms | ["organic","pyrrolidine"] | [] | Removed legacy synonyms field in favor of structured labels |
| 83,538 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 83,539 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 213,525 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,224 | normalize_name_case | prefLabel | [{"@value":"pyrrolidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | [{"@value":"Pyrrolidine","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,713 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,714 | enrich_references | skos_definition | — | [{"@value":"A cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compou… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,715 | enrich_references | references | [] | [{"@id":"beilstein:102395","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['123-75-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_33135']; candidate_pubchem_cids=[31268, 3613359, 18547213, 19766491, 20262479]; selected_pubchem_cids=[31268]; 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 |
| 248,462 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | rdkit_pre_consensus from 'C1CCNC1'; added: monoisotopic_mass |
| 254,451 | chebi_altlabels | altLabel | [] | [{"@value":"1-azacyclopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,248 | consensus_match | altLabel | [{"@value":"1-azacyclopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1-azacyclopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | group_key=pyrrolidine||dimension=Environmental > media=Ground > geography=Unknown; cas=123-75-1; added Common Chemistry CAS names as altLabel: 9: PN: WO2017048620 SEQID: 14 claimed sequence, NSC 62781, Pyrrole, tetrahydro-, Pyrrolidine ring; object_uuid=fo-348d3b0c597f9f4f |
| 271,249 | consensus_match | cas_match_labels | — | {"123-75-1":"exactMatch"} | group_key=pyrrolidine||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-75-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-348d3b0c597f9f4f: {'123-75-1': 'exactMatch'} |
| 273,592 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Pyrrolidine' |
| 279,955 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | rdkit_post_consensus from 'C1CCNC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,361 | strip_catalogue_altlabels | altLabel | [{"@value":"1-azacyclopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | [{"@value":"1-azacyclopentane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 62781' (registry code) |
| 322,783 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/470966ca-eb40-… | associations resolved on the elementary layer |
| 387,867 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9N"],"a… | typed the way the ontology types it |
| 394,392 | 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/20260821T1302361922970000/575 | prefLabel | ef:agent/bootstrap_labels | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v0 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v1 |
| ef:activity/change/20260821T1302361922970000/576 | name | ef:agent/bootstrap_labels | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v1 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v2 |
| ef:activity/change/20260821T1302361922970000/577 | synonyms | ef:agent/bootstrap_labels | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v2 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v3 |
| ef:activity/change/20260821T1302361922970000/83538 | context | ef:agent/default_context_mapping | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v3 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v4 |
| ef:activity/change/20260821T1302361922970000/83539 | context_iri | ef:agent/default_context_mapping | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v4 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v5 |
| ef:activity/change/20260821T1302361922970000/213525 | unit_iri | ef:agent/unit_normalization | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v5 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v6 |
| ef:activity/change/20260821T1302361922970000/221224 | prefLabel | ef:agent/normalize_name_case | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v6 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v7 |
| ef:activity/change/20260821T1302361922970000/227713 | properties | ef:agent/enrich_references | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v7 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v8 |
| ef:activity/change/20260821T1302361922970000/227714 | skos_definition | ef:agent/enrich_references | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v8 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v9 |
| ef:activity/change/20260821T1302361922970000/227715 | references | ef:agent/enrich_references | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v9 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v10 |
| ef:activity/change/20260821T1302361922970000/248462 | properties | ef:agent/rdkit_pre_consensus | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v10 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v11 |
| ef:activity/change/20260821T1302361922970000/254451 | altLabel | ef:agent/chebi_altlabels | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v11 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v12 |
| ef:activity/change/20260821T1302361922970000/271248 | altLabel | ef:agent/consensus_match | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v12 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v13 |
| ef:activity/change/20260821T1302361922970000/271249 | cas_match_labels | ef:agent/consensus_match | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v13 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v14 |
| ef:activity/change/20260821T1302361922970000/273592 | properties | ef:agent/opsin_iupac | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v14 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v15 |
| ef:activity/change/20260821T1302361922970000/279955 | properties | ef:agent/rdkit_post_consensus | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v15 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v16 |
| ef:activity/change/20260821T1302361922970000/287361 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v16 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v17 |
| ef:activity/change/20260821T1302361922970000/322783 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v17 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v18 |
| ef:activity/change/20260821T1302361922970000/387867 | properties | ef:agent/normalise_property_values | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v18 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v19 |
| ef:activity/change/20260821T1302361922970000/394392 | types | ef:agent/link_flows_to_their_substance | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v19 | ef:flow/470966ca-eb40-494c-8fae-10efccef1f3f/v20 |