Sec-butyllithium
Everything that changed this flow. Back to the flow
329fdea3-09df-4f15-bf34-1a07533f4ede
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| altLabel | 2 | 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=sec-butyllithium||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4912b673505b25c7: {'598-30-1': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['598-30-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[102446, 57346040]; selected_pubchem_cids=[102446, 57346040]; 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 |
|---|---|---|---|---|---|
| 10,348 | bootstrap_labels | prefLabel | — | [{"@value":"sec-butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 10,349 | bootstrap_labels | name | sec-butyllithium | — | Purged legacy name field to enforce prefLabel usage |
| 10,350 | bootstrap_labels | synonyms | ["organometallic","sec-butyllithium","secbutyllithium"] | [] | Removed legacy synonyms field in favor of structured labels |
| 70,066 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 70,067 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 216,774 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,514 | normalize_name_case | prefLabel | [{"@value":"sec-butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Sec-butyllithium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,043 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 237,044 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,045 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J252.487B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['598-30-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[102446, 57346040]; selected_pubchem_cids=[102446, 57346040]; 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 |
| 251,148 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | rdkit_pre_consensus from '[Li+].CC[CH-]C'; added: molecular_mass, monoisotopic_mass |
| 271,583 | consensus_match | altLabel | [] | [{"@value":"(1-Methylpropyl)lithium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | group_key=sec-butyllithium||dimension=Environmental > media=Water > water_body=Ocean; cas=598-30-1; added Common Chemistry CAS names as altLabel: (1-Methylpropyl)lithium, 2-Butyllithium, <em>s</em>-Butyllithium, Lithium, (1-methylpropyl)-, Lithium, <em>sec</em>-butyl-; object_uuid=fo-4912b673505b25c7 |
| 271,584 | consensus_match | cas_match_labels | — | {"598-30-1":"exactMatch"} | group_key=sec-butyllithium||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'598-30-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4912b673505b25c7: {'598-30-1': 'exactMatch'} |
| 276,330 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sec-butyllithium' |
| 282,928 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | rdkit_post_consensus from '[Li][CH](C)CC'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,934 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H10Li","… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 292,507 | dedupe_altlabels | altLabel | [{"@value":"(1-Methylpropyl)lithium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | [{"@value":"(1-Methylpropyl)lithium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttrib… | Deduplicated altLabel values and removed entries matching prefLabel |
| 316,050 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/329fdea3-09df-… | associations resolved on the elementary layer |
| 398,410 | 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/20260821T1302361922970000/10348 | prefLabel | ef:agent/bootstrap_labels | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v0 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v1 |
| ef:activity/change/20260821T1302361922970000/10349 | name | ef:agent/bootstrap_labels | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v1 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v2 |
| ef:activity/change/20260821T1302361922970000/10350 | synonyms | ef:agent/bootstrap_labels | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v2 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v3 |
| ef:activity/change/20260821T1302361922970000/70066 | context | ef:agent/default_context_mapping | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v3 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v4 |
| ef:activity/change/20260821T1302361922970000/70067 | context_iri | ef:agent/default_context_mapping | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v4 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v5 |
| ef:activity/change/20260821T1302361922970000/216774 | unit_iri | ef:agent/unit_normalization | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v5 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v6 |
| ef:activity/change/20260821T1302361922970000/223514 | prefLabel | ef:agent/normalize_name_case | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v6 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v7 |
| ef:activity/change/20260821T1302361922970000/237043 | properties | ef:agent/enrich_references | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v7 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v8 |
| ef:activity/change/20260821T1302361922970000/237044 | skos_definition | ef:agent/enrich_references | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v8 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v9 |
| ef:activity/change/20260821T1302361922970000/237045 | references | ef:agent/enrich_references | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v9 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v10 |
| ef:activity/change/20260821T1302361922970000/251148 | properties | ef:agent/rdkit_pre_consensus | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v10 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v11 |
| ef:activity/change/20260821T1302361922970000/271583 | altLabel | ef:agent/consensus_match | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v11 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v12 |
| ef:activity/change/20260821T1302361922970000/271584 | cas_match_labels | ef:agent/consensus_match | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v12 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v13 |
| ef:activity/change/20260821T1302361922970000/276330 | properties | ef:agent/opsin_iupac | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v13 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v14 |
| ef:activity/change/20260821T1302361922970000/282928 | properties | ef:agent/rdkit_post_consensus | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v14 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v15 |
| ef:activity/change/20260821T1302361922970000/286934 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v15 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v16 |
| ef:activity/change/20260821T1302361922970000/292507 | altLabel | ef:agent/dedupe_altlabels | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v16 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v17 |
| ef:activity/change/20260821T1302361922970000/316050 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v17 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v18 |
| ef:activity/change/20260821T1302361922970000/398410 | types | ef:agent/link_flows_to_their_substance | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v18 | ef:flow/329fdea3-09df-4f15-bf34-1a07533f4ede/v19 |