Isocaproic acid
Everything that changed this flow. Back to the flow
a960cca3-d883-4835-9bbc-0c83ce4f3722
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 4126' (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=646-07-1; cc_chebi_agreed_name='Isocaproic acid'; object_uuid=fo-c10d1f01bc499a2e |
| cas_match_labels | 1 | consensus_match | group_key=4-methylvalericacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'646-07-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c10d1f01bc499a2e: {'646-07-1': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['646-07-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_74903']; candidate_pubchem_cids=[12587, 4275592]; selected_pubchem_cids=[12587]; 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 |
|---|---|---|---|---|---|
| 21,036 | bootstrap_labels | prefLabel | — | [{"@value":"4-methylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 21,037 | bootstrap_labels | name | 4-methylvaleric acid | — | Purged legacy name field to enforce prefLabel usage |
| 21,038 | bootstrap_labels | synonyms | ["3-Methylbutane-1-carboxylic acid","4,4-Dimethylbutanoic acid","4-METHYL VALERIC ACID","4-METHYLPENTANOIC ACID","4-Met… | [] | Removed legacy synonyms field in favor of structured labels |
| 150,551 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 150,552 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,121 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,862 | normalize_name_case | prefLabel | [{"@value":"4-methylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"4-methylvaleric 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) |
| 246,519 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 246,520 | enrich_references | skos_definition | — | [{"@value":"A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,521 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.720E","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['646-07-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_74903']; candidate_pubchem_cids=[12587, 4275592]; selected_pubchem_cids=[12587]; 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 |
| 257,060 | chebi_altlabels | altLabel | [] | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 9 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,862 | consensus_match | prefLabel | [{"@value":"4-methylvaleric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Isocaproic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=646-07-1; cc_chebi_agreed_name='Isocaproic acid'; object_uuid=fo-c10d1f01bc499a2e |
| 262,863 | consensus_match | altLabel | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | cas=646-07-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-c10d1f01bc499a2e |
| 262,864 | consensus_match | altLabel | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=4-methylvalericacid||dimension=Environmental > media=Water > water_body=Ocean; cas=646-07-1; added Common Chemistry CAS names as altLabel: NSC 4126, Pentanoic acid, 4-methyl-, Valeric acid, 4-methyl-; object_uuid=fo-c10d1f01bc499a2e |
| 262,865 | consensus_match | cas_match_labels | — | {"646-07-1":"exactMatch"} | group_key=4-methylvalericacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'646-07-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c10d1f01bc499a2e: {'646-07-1': 'exactMatch'} |
| 279,092 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isocaproic acid' |
| 285,940 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | rdkit_post_consensus from 'CC(C)CCC(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,420 | strip_catalogue_altlabels | altLabel | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"4,4-Dimethylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 4126' (registry code) |
| 356,328 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a960cca3-d883-… | associations resolved on the elementary layer |
| 393,513 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H12O2"],… | typed the way the ontology types it |
| 402,502 | 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/20260920T1042228874600000/21036 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v0 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v1 |
| ef:activity/change/20260920T1042228874600000/21037 | name | ef:agent/bootstrap_labels | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v1 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v2 |
| ef:activity/change/20260920T1042228874600000/21038 | synonyms | ef:agent/bootstrap_labels | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v2 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v3 |
| ef:activity/change/20260920T1042228874600000/150551 | context | ef:agent/default_context_mapping | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v3 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v4 |
| ef:activity/change/20260920T1042228874600000/150552 | context_iri | ef:agent/default_context_mapping | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v4 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v5 |
| ef:activity/change/20260920T1042228874600000/220121 | unit_iri | ef:agent/unit_normalization | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v5 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v6 |
| ef:activity/change/20260920T1042228874600000/225862 | prefLabel | ef:agent/normalize_name_case | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v6 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v7 |
| ef:activity/change/20260920T1042228874600000/246519 | properties | ef:agent/enrich_references | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v7 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v8 |
| ef:activity/change/20260920T1042228874600000/246520 | skos_definition | ef:agent/enrich_references | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v8 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v9 |
| ef:activity/change/20260920T1042228874600000/246521 | references | ef:agent/enrich_references | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v9 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v10 |
| ef:activity/change/20260920T1042228874600000/257060 | altLabel | ef:agent/chebi_altlabels | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v10 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v11 |
| ef:activity/change/20260920T1042228874600000/262862 | prefLabel | ef:agent/consensus_match | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v11 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v12 |
| ef:activity/change/20260920T1042228874600000/262863 | altLabel | ef:agent/consensus_match | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v12 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v13 |
| ef:activity/change/20260920T1042228874600000/262864 | altLabel | ef:agent/consensus_match | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v13 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v14 |
| ef:activity/change/20260920T1042228874600000/262865 | cas_match_labels | ef:agent/consensus_match | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v14 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v15 |
| ef:activity/change/20260920T1042228874600000/279092 | properties | ef:agent/opsin_iupac | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v15 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v16 |
| ef:activity/change/20260920T1042228874600000/285940 | properties | ef:agent/rdkit_post_consensus | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v16 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v17 |
| ef:activity/change/20260920T1042228874600000/291420 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v17 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v18 |
| ef:activity/change/20260920T1042228874600000/356328 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v18 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v19 |
| ef:activity/change/20260920T1042228874600000/393513 | properties | ef:agent/normalise_property_values | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v19 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v20 |
| ef:activity/change/20260920T1042228874600000/402502 | types | ef:agent/link_flows_to_their_substance | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v20 | ef:flow/a960cca3-d883-4835-9bbc-0c83ce4f3722/v21 |