Isovaleric acid
Everything that changed this flow. Back to the flow
0d79c5d1-6556-11dd-ad8b-0800200c9a66
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 62783' (registry code) |
| properties | 4 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus | typed the way the ontology types it |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=503-74-2; cc_chebi_agreed_name='Isovaleric acid'; object_uuid=fo-7296a96a2cd204af |
| cas_match_labels | 1 | consensus_match | group_key=3-methylbutanoicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'503-74-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7296a96a2cd204af: {'503-74-2': '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=['503-74-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28484']; candidate_pubchem_cids=[10430, 3587356]; selected_pubchem_cids=[10430]; 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
21| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 215 | bootstrap_labels | prefLabel | — | [{"@value":"3-methylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 216 | bootstrap_labels | name | 3-methylbutanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 11,598 | bootstrap_labels | synonyms | ["3,4-Diisovaleryl adrenaline","3-Methylbuttersaeure","3-Methylbutyrate","3-Methylbutyric acid","3-methyl-butanoic acid… | [] | Removed legacy synonyms field in favor of structured labels |
| 44,852 | 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 |
| 44,853 | 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 |
| 213,410 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,142 | normalize_name_case | prefLabel | [{"@value":"3-methylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"3-methylbutanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,373 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,374 | enrich_references | skos_definition | — | [{"@value":"A C5, branched-chain saturated fatty acid.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_re… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,375 | enrich_references | references | [] | [{"@id":"beilstein:1098522","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['503-74-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_28484']; candidate_pubchem_cids=[10430, 3587356]; selected_pubchem_cids=[10430]; 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 |
| 254,412 | chebi_altlabels | altLabel | [] | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 13 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,141 | consensus_match | prefLabel | [{"@value":"3-methylbutanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Isovaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=503-74-2; cc_chebi_agreed_name='Isovaleric acid'; object_uuid=fo-7296a96a2cd204af |
| 262,142 | consensus_match | altLabel | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | cas=503-74-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-7296a96a2cd204af |
| 262,143 | consensus_match | altLabel | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=3-methylbutanoicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=503-74-2; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butanoic acid, 3-Methylbutyrate, Acetic acid, isopropyl-, Butanoic acid, 3-methyl-, NSC 62783, β-Methylbutyric acid; object_uuid=fo-7296a96a2cd204af |
| 262,144 | consensus_match | cas_match_labels | — | {"503-74-2":"exactMatch"} | group_key=3-methylbutanoicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'503-74-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7296a96a2cd204af: {'503-74-2': 'exactMatch'} |
| 273,513 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isovaleric acid' |
| 279,866 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | rdkit_post_consensus from 'CC(C)CC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,310 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"3-Methylbuttersaeure","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 1 catalogue altLabel value(s): 'NSC 62783' (registry code) |
| 303,472 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d79c5d1-6556-… | associations resolved on the elementary layer |
| 387,792 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | typed the way the ontology types it |
| 394,269 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
21 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/20260820T0738569779880000/215 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v0 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260820T0738569779880000/216 | name | ef:agent/bootstrap_labels | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v1 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260820T0738569779880000/11598 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v2 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260820T0738569779880000/44852 | context | ef:agent/default_context_mapping | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v3 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260820T0738569779880000/44853 | context_iri | ef:agent/default_context_mapping | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v4 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260820T0738569779880000/213410 | unit_iri | ef:agent/unit_normalization | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v5 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260820T0738569779880000/221142 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v6 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260820T0738569779880000/227373 | properties | ef:agent/enrich_references | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v7 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260820T0738569779880000/227374 | skos_definition | ef:agent/enrich_references | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v8 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260820T0738569779880000/227375 | references | ef:agent/enrich_references | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v9 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260820T0738569779880000/254412 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v10 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260820T0738569779880000/262141 | prefLabel | ef:agent/consensus_match | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v11 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260820T0738569779880000/262142 | altLabel | ef:agent/consensus_match | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v12 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260820T0738569779880000/262143 | altLabel | ef:agent/consensus_match | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v13 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260820T0738569779880000/262144 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v14 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260820T0738569779880000/273513 | properties | ef:agent/opsin_iupac | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v15 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260820T0738569779880000/279866 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v16 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260820T0738569779880000/287310 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v17 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260820T0738569779880000/303472 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v18 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260820T0738569779880000/387792 | properties | ef:agent/normalise_property_values | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v19 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260820T0738569779880000/394269 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v20 | ef:flow/0d79c5d1-6556-11dd-ad8b-0800200c9a66/v21 |