Butyllithium
Everything that changed this flow. Back to the flow
6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, withhold_ambiguous_mass | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=butyllithium||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-72-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-080c79df7c6545df: {'109-72-8': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['109-72-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51469']; candidate_pubchem_cids=[61028, 236262, 53627823]; selected_pubchem_cids=[61028]; 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 |
|---|---|---|---|---|---|
| 17,656 | bootstrap_labels | prefLabel | — | [{"@value":"butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"b… | Bootstrapped prefLabel from legacy name field |
| 17,657 | bootstrap_labels | name | butyllithium | — | Purged legacy name field to enforce prefLabel usage |
| 17,658 | bootstrap_labels | synonyms | ["organometallic","butyllithium","buli","n-buli","n-butyllithium"] | [] | Removed legacy synonyms field in favor of structured labels |
| 113,371 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 113,372 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,124 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,141 | normalize_name_case | prefLabel | [{"@value":"butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"b… | [{"@value":"Butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"b… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,721 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,722 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,723 | enrich_references | references | [] | [{"@id":"beilstein:1209227","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['109-72-8']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_51469']; candidate_pubchem_cids=[61028, 236262, 53627823]; selected_pubchem_cids=[61028]; 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 |
| 256,709 | chebi_altlabels | altLabel | [] | [{"@value":"LiBu","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightway-… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,643 | consensus_match | altLabel | [{"@value":"LiBu","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightway-… | [{"@value":"LiBu","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightway-… | group_key=butyllithium||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=109-72-8; added Common Chemistry CAS names as altLabel: 1-Butyllithium, <em>n</em>-Butyllithium, Lithium, butyl-; object_uuid=fo-080c79df7c6545df |
| 264,644 | consensus_match | cas_match_labels | — | {"109-72-8":"exactMatch"} | group_key=butyllithium||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'109-72-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-080c79df7c6545df: {'109-72-8': 'exactMatch'} |
| 278,289 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butyllithium' |
| 285,042 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | rdkit_post_consensus from '[Li][CH2]CCC'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,128 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,968 | dedupe_altlabels | altLabel | [{"@value":"LiBu","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightway-… | [{"@value":"LiBu","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"brightway-… | Deduplicated altLabel values and removed entries matching prefLabel |
| 337,722 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6ad060a9-bd60-… | associations resolved on the elementary layer |
| 392,674 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H9Li"],"… | typed the way the ontology types it |
| 401,248 | 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/20261019T0712047113160000/17656 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v0 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v1 |
| ef:activity/change/20261019T0712047113160000/17657 | name | ef:agent/bootstrap_labels | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v1 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v2 |
| ef:activity/change/20261019T0712047113160000/17658 | synonyms | ef:agent/bootstrap_labels | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v2 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v3 |
| ef:activity/change/20261019T0712047113160000/113371 | context | ef:agent/default_context_mapping | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v3 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v4 |
| ef:activity/change/20261019T0712047113160000/113372 | context_iri | ef:agent/default_context_mapping | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v4 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v5 |
| ef:activity/change/20261019T0712047113160000/219124 | unit_iri | ef:agent/unit_normalization | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v5 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v6 |
| ef:activity/change/20261019T0712047113160000/225141 | prefLabel | ef:agent/normalize_name_case | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v6 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v7 |
| ef:activity/change/20261019T0712047113160000/243721 | properties | ef:agent/enrich_references | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v7 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v8 |
| ef:activity/change/20261019T0712047113160000/243722 | skos_definition | ef:agent/enrich_references | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v8 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v9 |
| ef:activity/change/20261019T0712047113160000/243723 | references | ef:agent/enrich_references | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v9 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v10 |
| ef:activity/change/20261019T0712047113160000/256709 | altLabel | ef:agent/chebi_altlabels | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v10 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v11 |
| ef:activity/change/20261019T0712047113160000/264643 | altLabel | ef:agent/consensus_match | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v11 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v12 |
| ef:activity/change/20261019T0712047113160000/264644 | cas_match_labels | ef:agent/consensus_match | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v12 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v13 |
| ef:activity/change/20261019T0712047113160000/278289 | properties | ef:agent/opsin_iupac | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v13 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v14 |
| ef:activity/change/20261019T0712047113160000/285042 | properties | ef:agent/rdkit_post_consensus | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v14 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v15 |
| ef:activity/change/20261019T0712047113160000/287128 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v15 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v16 |
| ef:activity/change/20261019T0712047113160000/292968 | altLabel | ef:agent/dedupe_altlabels | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v16 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v17 |
| ef:activity/change/20261019T0712047113160000/337722 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v17 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v18 |
| ef:activity/change/20261019T0712047113160000/392674 | properties | ef:agent/normalise_property_values | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v18 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v19 |
| ef:activity/change/20261019T0712047113160000/401248 | types | ef:agent/link_flows_to_their_substance | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v19 | ef:flow/6ad060a9-bd60-4bb1-b6af-4d9f9adc15c8/v20 |