(±)-2-methylbutyric Acid
Everything that changed this flow. Back to the flow
71e2c174-ea8e-48ba-b058-a86678ea71a8
By field
14 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, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 7304' (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=(±)-2-methylbutyricacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'600-07-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7ec5040940529620: {'600-07-7': '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 water > Emissions to water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 209-982-7 from CAS 600-07-7 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['600-07-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[8314, 100450, 448893, 6950479]; selected_pubchem_cids=[8314]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 10,383 | bootstrap_labels | prefLabel | — | [{"@value":"(±)-2-methylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 10,384 | bootstrap_labels | name | (±)-2-methylbutyric acid | — | Purged legacy name field to enforce prefLabel usage |
| 10,385 | bootstrap_labels | synonyms | ["(+/-)-2-Methylbutyric acid","(1)-2-Methylbutyric acid",".alpha.-Methylbutyric acid","2-METHYLBUTANOIC ACID (DL)","2-M… | [] | Removed legacy synonyms field in favor of structured labels |
| 117,570 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 117,571 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 216,791 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,530 | normalize_name_case | prefLabel | [{"@value":"(±)-2-methylbutyric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"(±)-2-methylbutyric Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,930 | ec_cross_check | ec_numbers | [] | ["209-982-7"] | Resolved from EC-inventory: 209-982-7 from CAS 600-07-7 |
| 237,081 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,082 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,083 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.000A","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['600-07-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[8314, 100450, 448893, 6950479]; selected_pubchem_cids=[8314]; 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 |
| 251,164 | rdkit_pre_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_pre_consensus from 'CCC(C)C(=O)O'; added: molecular_mass, monoisotopic_mass |
| 257,976 | consensus_match | altLabel | [] | [{"@value":"(±)-2-Methylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | group_key=(±)-2-methylbutyricacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=600-07-7; added Common Chemistry CAS names as altLabel: (±)-2-Methylbutanoic acid, (±)-Methylethylacetic acid, (±)-α-Methylbutyric acid, 2-Ethylpropanoic acid, 2-Methyl-<em>n</em>-butyric acid, 2-Methylbutanoic acid, 2-Methylbutyric acid, <span class="text-smallcaps">DL</span>-2-Methylbutanoic acid, <span class="text-smallcaps">DL</span>-2-Methylbutyric acid, <span class="text-smallcaps">DL</span>-α-Methylbutyric acid, Active valeric acid, Butanoic acid, 2-methyl-, Butyric acid, 2-methyl-, Butyric acid, α-methyl-, Ethylmethylacetic acid, Hydroangelic acid, Methylethylacetic acid, NSC 7304, α-Methyl-<em>n</em>-butyric acid, α-Methylbutyric acid; object_uuid=fo-7ec5040940529620 |
| 257,977 | consensus_match | cas_match_labels | — | {"600-07-7":"exactMatch"} | group_key=(±)-2-methylbutyricacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'600-07-7': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-7ec5040940529620: {'600-07-7': 'exactMatch'} |
| 276,361 | 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 '(±)-2-methylbutyric Acid' |
| 282,959 | 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 'CCC(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,436 | strip_catalogue_altlabels | altLabel | [{"@value":"(±)-2-Methylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | [{"@value":"(±)-2-Methylbutanoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 7304' (registry code) |
| 339,805 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/71e2c174-ea8e-… | associations resolved on the elementary layer |
| 390,713 | 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 |
| 398,451 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T1555490862250000/10383 | prefLabel | ef:agent/bootstrap_labels | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v0 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v1 |
| ef:activity/change/20260820T1555490862250000/10384 | name | ef:agent/bootstrap_labels | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v1 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v2 |
| ef:activity/change/20260820T1555490862250000/10385 | synonyms | ef:agent/bootstrap_labels | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v2 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v3 |
| ef:activity/change/20260820T1555490862250000/117570 | context | ef:agent/default_context_mapping | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v3 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v4 |
| ef:activity/change/20260820T1555490862250000/117571 | context_iri | ef:agent/default_context_mapping | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v4 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v5 |
| ef:activity/change/20260820T1555490862250000/216791 | unit_iri | ef:agent/unit_normalization | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v5 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v6 |
| ef:activity/change/20260820T1555490862250000/223530 | prefLabel | ef:agent/normalize_name_case | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v6 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v7 |
| ef:activity/change/20260820T1555490862250000/226930 | ec_numbers | ef:agent/ec_cross_check | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v7 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v8 |
| ef:activity/change/20260820T1555490862250000/237081 | properties | ef:agent/enrich_references | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v8 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v9 |
| ef:activity/change/20260820T1555490862250000/237082 | skos_definition | ef:agent/enrich_references | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v9 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v10 |
| ef:activity/change/20260820T1555490862250000/237083 | references | ef:agent/enrich_references | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v10 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v11 |
| ef:activity/change/20260820T1555490862250000/251164 | properties | ef:agent/rdkit_pre_consensus | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v11 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v12 |
| ef:activity/change/20260820T1555490862250000/257976 | altLabel | ef:agent/consensus_match | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v12 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v13 |
| ef:activity/change/20260820T1555490862250000/257977 | cas_match_labels | ef:agent/consensus_match | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v13 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v14 |
| ef:activity/change/20260820T1555490862250000/276361 | properties | ef:agent/opsin_iupac | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v14 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v15 |
| ef:activity/change/20260820T1555490862250000/282959 | properties | ef:agent/rdkit_post_consensus | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v15 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v16 |
| ef:activity/change/20260820T1555490862250000/289436 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v16 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v17 |
| ef:activity/change/20260820T1555490862250000/339805 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v17 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v18 |
| ef:activity/change/20260820T1555490862250000/390713 | properties | ef:agent/normalise_property_values | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v18 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v19 |
| ef:activity/change/20260820T1555490862250000/398451 | types | ef:agent/link_flows_to_their_substance | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v19 | ef:flow/71e2c174-ea8e-48ba-b058-a86678ea71a8/v20 |