4-phenylbutyric Acid
Everything that changed this flow. Back to the flow
4b2125d0-1e30-45ed-807e-bf4d83c871de
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 295' (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=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1821-12-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8be7719d817ef761: {'1821-12-1': '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 soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1821-12-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41500']; candidate_pubchem_cids=[4775, 20330, 260167, 10537941, 59142288]; selected_pubchem_cids=[4775]; 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 |
|---|---|---|---|---|---|
| 11,244 | bootstrap_labels | prefLabel | — | [{"@value":"4-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 11,245 | bootstrap_labels | name | 4-phenylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,246 | bootstrap_labels | synonyms | [".gamma.-Phenylbutyric acid",".omega.-Phenylbutanoic acid","1-Phenylbutyric acid","2-methyl-1-phenyl-propan-2-amine","… | [] | Removed legacy synonyms field in favor of structured labels |
| 85,822 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 85,823 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 217,066 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,716 | normalize_name_case | prefLabel | [{"@value":"4-phenylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"4-phenylbutyric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,879 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 237,880 | enrich_references | skos_definition | — | [{"@value":"A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4… | Merged ChEBI/PubChem definitions into skos:definition |
| 237,881 | enrich_references | references | [] | [{"@id":"drugcentral:24","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"co… | Added references with provenance; cas_numbers=['1821-12-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_41500']; candidate_pubchem_cids=[4775, 20330, 260167, 10537941, 59142288]; selected_pubchem_cids=[4775]; 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 |
| 255,948 | chebi_altlabels | altLabel | [] | [{"@value":"4-PHENYL-BUTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,912 | consensus_match | altLabel | [{"@value":"4-PHENYL-BUTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"4-PHENYL-BUTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=1821-12-1; added Common Chemistry CAS names as altLabel: Benzenebutanoic acid, Butyric acid, 4-phenyl-, Butyric acid, γ-phenyl-, NSC 295, γ-Phenylbutanoic acid, γ-Phenylbutyric acid, ω-Phenylbutanoic acid; object_uuid=fo-8be7719d817ef761 |
| 262,913 | consensus_match | cas_match_labels | — | {"1821-12-1":"exactMatch"} | group_key=4-phenylbutyricacid||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1821-12-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8be7719d817ef761: {'1821-12-1': 'exactMatch'} |
| 276,572 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-phenylbutyric Acid' |
| 283,189 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | rdkit_post_consensus from 'O=C(O)CCCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,584 | strip_catalogue_altlabels | altLabel | [{"@value":"4-PHENYL-BUTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | [{"@value":"4-PHENYL-BUTANOIC ACID","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 295' (registry code) |
| 323,926 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4b2125d0-1e30-… | associations resolved on the elementary layer |
| 390,925 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H12O2"]… | typed the way the ontology types it |
| 398,746 | 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/20260821T1554374006150000/11244 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v0 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v1 |
| ef:activity/change/20260821T1554374006150000/11245 | name | ef:agent/bootstrap_labels | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v1 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v2 |
| ef:activity/change/20260821T1554374006150000/11246 | synonyms | ef:agent/bootstrap_labels | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v2 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v3 |
| ef:activity/change/20260821T1554374006150000/85822 | context | ef:agent/default_context_mapping | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v3 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v4 |
| ef:activity/change/20260821T1554374006150000/85823 | context_iri | ef:agent/default_context_mapping | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v4 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v5 |
| ef:activity/change/20260821T1554374006150000/217066 | unit_iri | ef:agent/unit_normalization | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v5 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v6 |
| ef:activity/change/20260821T1554374006150000/223716 | prefLabel | ef:agent/normalize_name_case | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v6 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v7 |
| ef:activity/change/20260821T1554374006150000/237879 | properties | ef:agent/enrich_references | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v7 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v8 |
| ef:activity/change/20260821T1554374006150000/237880 | skos_definition | ef:agent/enrich_references | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v8 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v9 |
| ef:activity/change/20260821T1554374006150000/237881 | references | ef:agent/enrich_references | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v9 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v10 |
| ef:activity/change/20260821T1554374006150000/255948 | altLabel | ef:agent/chebi_altlabels | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v10 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v11 |
| ef:activity/change/20260821T1554374006150000/262912 | altLabel | ef:agent/consensus_match | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v11 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v12 |
| ef:activity/change/20260821T1554374006150000/262913 | cas_match_labels | ef:agent/consensus_match | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v12 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v13 |
| ef:activity/change/20260821T1554374006150000/276572 | properties | ef:agent/opsin_iupac | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v13 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v14 |
| ef:activity/change/20260821T1554374006150000/283189 | properties | ef:agent/rdkit_post_consensus | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v14 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v15 |
| ef:activity/change/20260821T1554374006150000/289584 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v15 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v16 |
| ef:activity/change/20260821T1554374006150000/323926 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v16 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v17 |
| ef:activity/change/20260821T1554374006150000/390925 | properties | ef:agent/normalise_property_values | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v17 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v18 |
| ef:activity/change/20260821T1554374006150000/398746 | types | ef:agent/link_flows_to_their_substance | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v18 | ef:flow/4b2125d0-1e30-45ed-807e-bf4d83c871de/v19 |