Isobutyric acid
Everything that changed this flow. Back to the flow
e2fb04e2-6555-11dd-ad8b-0800200c9a66
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 62780' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=79-31-2; cc_chebi_agreed_name='Isobutyric acid'; object_uuid=fo-833cf42fed43fe9d |
| cas_match_labels | 1 | consensus_match | group_key=2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-31-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-833cf42fed43fe9d: {'79-31-2': '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=['79-31-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16135']; candidate_pubchem_cids=[6590, 71140, 165337, 71312231]; selected_pubchem_cids=[6590]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,498 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 22,499 | bootstrap_labels | name | 2-methylpropanoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 22,500 | bootstrap_labels | synonyms | [".alpha.-Methylpropanoic acid",".alpha.-Methylpropionic acid","1iup","2,2-dimethylacetic acid","2-METHYL-PROPIONIC ACI… | [] | Removed legacy synonyms field in favor of structured labels |
| 185,462 | 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 |
| 185,463 | 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 |
| 220,473 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,151 | normalize_name_case | prefLabel | [{"@value":"2-methylpropanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"2-methylpropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,447 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,448 | enrich_references | skos_definition | — | [{"@value":"A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.","@language":"en","provena… | Merged ChEBI/PubChem definitions into skos:definition |
| 247,449 | enrich_references | references | [] | [{"@id":"bpdb:3128","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"consens… | Added references with provenance; cas_numbers=['79-31-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_16135']; candidate_pubchem_cids=[6590, 71140, 165337, 71312231]; selected_pubchem_cids=[6590]; 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 |
| 254,164 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | rdkit_pre_consensus from 'CC(C)C(=O)O'; added: monoisotopic_mass |
| 257,201 | chebi_altlabels | altLabel | [] | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 17 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,182 | consensus_match | prefLabel | [{"@value":"2-methylpropanoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Isobutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":… | cas=79-31-2; cc_chebi_agreed_name='Isobutyric acid'; object_uuid=fo-833cf42fed43fe9d |
| 261,183 | consensus_match | altLabel | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | cas=79-31-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-833cf42fed43fe9d |
| 261,184 | consensus_match | altLabel | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=79-31-2; added Common Chemistry CAS names as altLabel: 2-Methyl-1-propanoic acid, 2-Methylpropionic acid, 2-Propanecarboxylic acid, 67: PN: WO2021258073 SEQID: 68 claimed sequence, Isobutyrates, MeSH ID: D058610, NSC 62780, Propanoic acid, 2-methyl-, i-Butyric acid, α-Methylpropanoic acid, α-Methylpropionic acid; object_uuid=fo-833cf42fed43fe9d |
| 261,185 | consensus_match | cas_match_labels | — | {"79-31-2":"exactMatch"} | group_key=2-methylpropanoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-31-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-833cf42fed43fe9d: {'79-31-2': 'exactMatch'} |
| 279,374 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isobutyric acid' |
| 286,249 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | rdkit_post_consensus from 'CC(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,605 | strip_catalogue_altlabels | altLabel | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2,2-dimethylacetic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 1 catalogue altLabel value(s): 'NSC 62780' (registry code) |
| 373,758 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e2fb04e2-6555-… | associations resolved on the elementary layer |
| 393,766 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H8O2"],"… | typed the way the ontology types it |
| 402,945 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/22498 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v0 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v1 |
| ef:activity/change/20260822T0600486828500000/22499 | name | ef:agent/bootstrap_labels | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v1 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v2 |
| ef:activity/change/20260822T0600486828500000/22500 | synonyms | ef:agent/bootstrap_labels | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v2 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v3 |
| ef:activity/change/20260822T0600486828500000/185462 | context | ef:agent/default_context_mapping | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v3 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v4 |
| ef:activity/change/20260822T0600486828500000/185463 | context_iri | ef:agent/default_context_mapping | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v4 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v5 |
| ef:activity/change/20260822T0600486828500000/220473 | unit_iri | ef:agent/unit_normalization | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v5 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v6 |
| ef:activity/change/20260822T0600486828500000/226151 | prefLabel | ef:agent/normalize_name_case | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v6 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v7 |
| ef:activity/change/20260822T0600486828500000/247447 | properties | ef:agent/enrich_references | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v7 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v8 |
| ef:activity/change/20260822T0600486828500000/247448 | skos_definition | ef:agent/enrich_references | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v8 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v9 |
| ef:activity/change/20260822T0600486828500000/247449 | references | ef:agent/enrich_references | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v9 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v10 |
| ef:activity/change/20260822T0600486828500000/254164 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v10 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v11 |
| ef:activity/change/20260822T0600486828500000/257201 | altLabel | ef:agent/chebi_altlabels | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v11 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v12 |
| ef:activity/change/20260822T0600486828500000/261182 | prefLabel | ef:agent/consensus_match | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v12 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v13 |
| ef:activity/change/20260822T0600486828500000/261183 | altLabel | ef:agent/consensus_match | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v13 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v14 |
| ef:activity/change/20260822T0600486828500000/261184 | altLabel | ef:agent/consensus_match | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v14 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v15 |
| ef:activity/change/20260822T0600486828500000/261185 | cas_match_labels | ef:agent/consensus_match | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v15 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v16 |
| ef:activity/change/20260822T0600486828500000/279374 | properties | ef:agent/opsin_iupac | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v16 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v17 |
| ef:activity/change/20260822T0600486828500000/286249 | properties | ef:agent/rdkit_post_consensus | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v17 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v18 |
| ef:activity/change/20260822T0600486828500000/291605 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v18 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v19 |
| ef:activity/change/20260822T0600486828500000/373758 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v19 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v20 |
| ef:activity/change/20260822T0600486828500000/393766 | properties | ef:agent/normalise_property_values | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v20 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v21 |
| ef:activity/change/20260822T0600486828500000/402945 | types | ef:agent/link_flows_to_their_substance | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v21 | ef:flow/e2fb04e2-6555-11dd-ad8b-0800200c9a66/v22 |