Isovaleric acid

CHEBI:28484 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:28484
Ontology label
isovaleric acid
kg-microbe node
CHEBI:28484

Nutritional roles

Synonyms (16)

SynonymTypeSourceOccurrences
Role: Carbon source; Properties: Defined component, Organic compound, Simple component RAW_TEXT CultureMech
Role: Carbon source; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
Role: Carbon source; Properties: Simple component, Organic compound, Defined component RAW_TEXT CultureMech
3-Methyl-butyric acid EXACT_SYNONYM kg_microbe
3-Methylbutanoic acid EXACT_SYNONYM kg_microbe
3-Methylbuttersaeure EXACT_SYNONYM kg_microbe
3-Methylbutyric acid EXACT_SYNONYM kg_microbe
3-methyl-n-butyric acid EXACT_SYNONYM kg_microbe
Isovaleriansaeure EXACT_SYNONYM kg_microbe
beta-methylbutyric acid EXACT_SYNONYM kg_microbe
delphinic acid EXACT_SYNONYM kg_microbe
isobutylformic acid EXACT_SYNONYM kg_microbe
isopentanoic acid EXACT_SYNONYM kg_microbe
isopropylacetic acid EXACT_SYNONYM kg_microbe
isovalerianic acid EXACT_SYNONYM kg_microbe
iso-Valeric acid EXACT_SYNONYM merged_from_duplicate_mim_record

Chemical properties

Cas rn
503-74-2
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-05T21:48:45.203200+00:00
Molecular formula
C5H10O2
Inchi
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
Smiles
CC(C)CC(=O)O

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
104
Distinct media
104

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T19:50:55.416641+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:503-74-2 from PubChem API via name lookup (3-Methyl-butyric acid)
2026-04-05T19:52:28.186794+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:503-74-2 from PubChem API via name lookup (iso-Valeric acid)
2026-04-05T21:48:45.203202+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:503-74-2 from CultureBotHT compounds_to_cas.csv (matched: Isovaleric acid)
2026-04-05T21:52:15.043157+00:00 fetch_cas_rn_from_cactus ADDED_CAS_RN MAPPED Added CAS-RN:92634-50-9 from NCI CACTUS via name lookup (3-Methylbutyric acid)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 12 synonyms from kg-microbe P4.4 enrichment: 3-Methyl-butyric acid, 3-Methylbutanoic acid, 3-Methylbuttersaeure, 3-Methylbutyric acid, 3-methyl-n-butyric acid, ... (7 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 12 synonyms from kg-microbe P4.4 enrichment: 3-Methyl-butyric acid, 3-Methylbutanoic acid, 3-Methylbuttersaeure, 3-methyl-n-butyric acid, ISOVALERIC ACID, ... (7 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 11 synonyms from kg-microbe P4.4 enrichment: 3-Methylbutanoic acid, 3-Methylbuttersaeure, 3-Methylbutyric acid, 3-methyl-n-butyric acid, Isovaleriansaeure, ... (6 more)
2026-04-19T01:05:11.450111+00:00 cbclaw_sssom_review_fix CORRECTED_ONTOLOGY_ID MAPPED Corrected ontology_id CHEBI:503742 -> CHEBI:28484 (old label: 'iso-Valeric acid', new label: 'isovaleric acid'). Reason: Previous CHEBI:503742 no longer resolves in CHEBI. Stripped 0 kg_microbe-sourced synonyms that were contaminated by the wrong CHEBI.
2026-04-19T07:39:40.088622+00:00 audit_mim_merge MERGED_FROM_DUPLICATES MAPPED Absorbed 3 duplicate MIM record(s) into this one: Iso-valeric_Acid.yaml, 3-methylbutyric_Acid.yaml, 3-methyl-butyric_Acid.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-04-19T07:39:40.088267+00:00 audit_resolve_risky_cas_rn RESOLVED_CAS_RN_CONFLICT MAPPED CAS-RN conflict across merged group (503-74-2|92634-50-9) resolved via OAK canonical xref: 503-74-2 (match)
2026-05-01T07:35:34.114867+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.108503+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C5H10O2; inchi=InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6; smiles=CC(C)CC(=O)O
2026-05-02T03:12:15.182914+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.111457+00:00 extract_roles_from_synonyms ANNOTATED Added media role: CARBON_SOURCE (confidence: 1.00)
2026-06-09T05:23:46.779172+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'Isovaleric acid' -> 'isovaleric acid': synced to canonical CHEBI label (preferred_term 'Isovaleric acid' unchanged).
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE
2026-08-27T03:16:39.519034+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 85/85 -> 104/104 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257]