Butanoyl Chloride
Everything that changed this flow. Back to the flow
bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108
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 | 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=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'141-75-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5897bebbab1119df: {'141-75-3': '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 soil > Emissions to 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 agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['141-75-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[8855, 85672]; selected_pubchem_cids=[8855]; 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 |
|---|---|---|---|---|---|
| 5,310 | bootstrap_labels | prefLabel | — | [{"@value":"butanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Bootstrapped prefLabel from legacy name field |
| 5,311 | bootstrap_labels | name | butanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,312 | bootstrap_labels | synonyms | ["organic","butyrylchloride","butanoylchloride(9ci)","butyricacidchloride","butyricchloride","butyrylchloride(6ci,7ci,8… | [] | Removed legacy synonyms field in favor of structured labels |
| 161,188 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 161,189 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,112 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,319 | normalize_name_case | prefLabel | [{"@value":"butanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | [{"@value":"Butanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedT… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,284 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,285 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,286 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.538K","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['141-75-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[8855, 85672]; selected_pubchem_cids=[8855]; 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 |
| 249,782 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | rdkit_pre_consensus from 'CCCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 264,574 | consensus_match | altLabel | [] | [{"@value":"<em>n</em>-Butanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; cas=141-75-3; added Common Chemistry CAS names as altLabel: <em>n</em>-Butanoyl chloride, <em>n</em>-Butyroyl chloride, <em>n</em>-Butyryl chloride, Butanoic acid chloride, Butyric acid chloride, Butyric chloride, Butyroyl chloride, Butyryl chloride; object_uuid=fo-5897bebbab1119df |
| 264,575 | consensus_match | cas_match_labels | — | {"141-75-3":"exactMatch"} | group_key=butanoylchloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'141-75-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5897bebbab1119df: {'141-75-3': 'exactMatch'} |
| 274,922 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Butanoyl Chloride' |
| 281,399 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | rdkit_post_consensus from 'CCCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,254 | dedupe_altlabels | altLabel | [{"@value":"<em>n</em>-Butanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"n-Butanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | Deduplicated altLabel values and removed entries matching prefLabel |
| 361,618 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bbe5a2a8-5c96-… | associations resolved on the elementary layer |
| 389,228 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H7ClO"],… | typed the way the ontology types it |
| 396,287 | 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/20260821T1554374006150000/5310 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v0 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v1 |
| ef:activity/change/20260821T1554374006150000/5311 | name | ef:agent/bootstrap_labels | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v1 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v2 |
| ef:activity/change/20260821T1554374006150000/5312 | synonyms | ef:agent/bootstrap_labels | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v2 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v3 |
| ef:activity/change/20260821T1554374006150000/161188 | context | ef:agent/default_context_mapping | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v3 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v4 |
| ef:activity/change/20260821T1554374006150000/161189 | context_iri | ef:agent/default_context_mapping | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v4 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v5 |
| ef:activity/change/20260821T1554374006150000/215112 | unit_iri | ef:agent/unit_normalization | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v5 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v6 |
| ef:activity/change/20260821T1554374006150000/222319 | prefLabel | ef:agent/normalize_name_case | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v6 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v7 |
| ef:activity/change/20260821T1554374006150000/232284 | properties | ef:agent/enrich_references | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v7 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v8 |
| ef:activity/change/20260821T1554374006150000/232285 | skos_definition | ef:agent/enrich_references | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v8 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v9 |
| ef:activity/change/20260821T1554374006150000/232286 | references | ef:agent/enrich_references | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v9 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v10 |
| ef:activity/change/20260821T1554374006150000/249782 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v10 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v11 |
| ef:activity/change/20260821T1554374006150000/264574 | altLabel | ef:agent/consensus_match | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v11 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v12 |
| ef:activity/change/20260821T1554374006150000/264575 | cas_match_labels | ef:agent/consensus_match | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v12 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v13 |
| ef:activity/change/20260821T1554374006150000/274922 | properties | ef:agent/opsin_iupac | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v13 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v14 |
| ef:activity/change/20260821T1554374006150000/281399 | properties | ef:agent/rdkit_post_consensus | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v14 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v15 |
| ef:activity/change/20260821T1554374006150000/292254 | altLabel | ef:agent/dedupe_altlabels | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v15 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v16 |
| ef:activity/change/20260821T1554374006150000/361618 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v16 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v17 |
| ef:activity/change/20260821T1554374006150000/389228 | properties | ef:agent/normalise_property_values | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v17 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v18 |
| ef:activity/change/20260821T1554374006150000/396287 | types | ef:agent/link_flows_to_their_substance | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v18 | ef:flow/bbe5a2a8-5c96-4afd-9e98-3dc3b7de3108/v19 |