2-methylvaleric Acid
Everything that changed this flow. Back to the flow
759178ae-8995-450e-8d0d-814461a83189
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 2 catalogue altLabel value(s): 'FEMA 2754' (grade code), 'NSC 8406' (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-methylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-61-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-490fc0d66e36fcc6: {'97-61-0': '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 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 agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['97-61-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_167644']; candidate_pubchem_cids=[7062, 7341, 642231, 6950109]; selected_pubchem_cids=[7341]; 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 |
|---|---|---|---|---|---|
| 18,710 | bootstrap_labels | prefLabel | — | [{"@value":"2-methylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 18,711 | bootstrap_labels | name | 2-methylvaleric acid | — | Purged legacy name field to enforce prefLabel usage |
| 18,712 | bootstrap_labels | synonyms | ["(+/-)-2-Methylvaleric acid",".alpha.-Methylvaleric acid","2-Methylpentanoic acid","2-Pentanecarboxylic acid","AC1L1OJ… | [] | Removed legacy synonyms field in favor of structured labels |
| 119,774 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 119,775 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 219,448 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,350 | normalize_name_case | prefLabel | [{"@value":"2-methylvaleric acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"2-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) |
| 244,634 | 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) |
| 244,635 | enrich_references | skos_definition | — | [{"@value":"A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.","@language… | Merged ChEBI/PubChem definitions into skos:definition |
| 244,636 | enrich_references | references | [] | [{"@id":"foodb.food:FDB008203","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedT… | Added references with provenance; cas_numbers=['97-61-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_167644']; candidate_pubchem_cids=[7062, 7341, 642231, 6950109]; selected_pubchem_cids=[7341]; 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 |
| 256,832 | chebi_altlabels | altLabel | [] | [{"@value":"2-methyl-n-valeric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,202 | consensus_match | altLabel | [{"@value":"2-methyl-n-valeric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2-methyl-n-valeric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | group_key=2-methylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; cas=97-61-0; added Common Chemistry CAS names as altLabel: (±)-2-Methylpentanoic acid, <span class="text-smallcaps">DL</span>-2-Methylpentanoic acid, NSC 8406, Pentanoic acid, 2-methyl-, Valeric acid, 2-methyl-, Valeric acid, α-methyl-, α-Methylvaleric acid; object_uuid=fo-490fc0d66e36fcc6 |
| 261,203 | consensus_match | cas_match_labels | — | {"97-61-0":"exactMatch"} | group_key=2-methylvalericacid||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-61-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-490fc0d66e36fcc6: {'97-61-0': 'exactMatch'} |
| 278,560 | 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 '2-methylvaleric Acid' |
| 285,332 | 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 'CCCC(C)C(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,021 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methyl-n-valeric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | [{"@value":"2-methyl-n-valeric acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttrib… | Removed 2 catalogue altLabel value(s): 'FEMA 2754' (grade code), 'NSC 8406' (registry code) |
| 340,885 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/759178ae-8995-… | associations resolved on the elementary layer |
| 392,927 | 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 |
| 401,630 | 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/20260821T1302361922970000/18710 | prefLabel | ef:agent/bootstrap_labels | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v0 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v1 |
| ef:activity/change/20260821T1302361922970000/18711 | name | ef:agent/bootstrap_labels | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v1 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v2 |
| ef:activity/change/20260821T1302361922970000/18712 | synonyms | ef:agent/bootstrap_labels | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v2 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v3 |
| ef:activity/change/20260821T1302361922970000/119774 | context | ef:agent/default_context_mapping | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v3 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v4 |
| ef:activity/change/20260821T1302361922970000/119775 | context_iri | ef:agent/default_context_mapping | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v4 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v5 |
| ef:activity/change/20260821T1302361922970000/219448 | unit_iri | ef:agent/unit_normalization | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v5 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v6 |
| ef:activity/change/20260821T1302361922970000/225350 | prefLabel | ef:agent/normalize_name_case | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v6 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v7 |
| ef:activity/change/20260821T1302361922970000/244634 | properties | ef:agent/enrich_references | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v7 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v8 |
| ef:activity/change/20260821T1302361922970000/244635 | skos_definition | ef:agent/enrich_references | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v8 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v9 |
| ef:activity/change/20260821T1302361922970000/244636 | references | ef:agent/enrich_references | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v9 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v10 |
| ef:activity/change/20260821T1302361922970000/256832 | altLabel | ef:agent/chebi_altlabels | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v10 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v11 |
| ef:activity/change/20260821T1302361922970000/261202 | altLabel | ef:agent/consensus_match | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v11 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v12 |
| ef:activity/change/20260821T1302361922970000/261203 | cas_match_labels | ef:agent/consensus_match | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v12 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v13 |
| ef:activity/change/20260821T1302361922970000/278560 | properties | ef:agent/opsin_iupac | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v13 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v14 |
| ef:activity/change/20260821T1302361922970000/285332 | properties | ef:agent/rdkit_post_consensus | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v14 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v15 |
| ef:activity/change/20260821T1302361922970000/291021 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v15 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v16 |
| ef:activity/change/20260821T1302361922970000/340885 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v16 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v17 |
| ef:activity/change/20260821T1302361922970000/392927 | properties | ef:agent/normalise_property_values | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v17 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v18 |
| ef:activity/change/20260821T1302361922970000/401630 | types | ef:agent/link_flows_to_their_substance | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v18 | ef:flow/759178ae-8995-450e-8d0d-814461a83189/v19 |