Na-caproate

CHEBI:114126 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier: CHEBI:114126
Ontology label: sodium hexanoate
kg-microbe node: CHEBI:114126

Nutritional roles

Role
CARBON_SOURCE
Confidence
0.8
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Inferred from curated media-role name pattern
  Curator note
  Provisional role from a curated name-pattern rule; review recommended.

Synonyms (6)

Synonym	Type	Source	Occurrences
Hexanoic acid, sodium salt	EXACT_SYNONYM	kg_microbe
Sodium caproate	EXACT_SYNONYM	kg_microbe
Sodium capronate	EXACT_SYNONYM	kg_microbe
Sodium n-caproate	EXACT_SYNONYM	kg_microbe
sodium hexanoate	EXACT_SYNONYM	kg_microbe
Role: Carbon source	RAW_TEXT	CultureMech

Chemical properties

Cas rn: 10051-44-2
Data source: PubChem API (preprocessed)
Retrieval date: 2026-04-05T23:45:34.104400+00:00
Molecular formula: C6H11O2.Na
Inchi: InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
Smiles: CCCCCC(=O)[O-].[Na+]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences: 10
Distinct media: 10

Curation history

Timestamp	Curator	Action	New status	Changes
2026-03-09T06:54:18.022301+00:00	import_from_culturemech	IMPORTED	MAPPED	Initial import from CultureMech pipeline
2026-04-05T21:48:45.739825+00:00	fetch_cas_rn_from_culturebot_csv	ADDED_CAS_RN	MAPPED	Added CAS-RN:10051-44-2 from CultureBotHT compounds_to_cas.csv (matched: Sodium caproate)
2026-04-05T23:45:34.104411+00:00	fetch_cas_rn_with_preprocessing	ADDED_CAS_RN	MAPPED	Added CAS-RN:10051-44-2 from PubChem API (preprocessed) via name preprocessing (Na-caproate)
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 5 synonyms from kg-microbe P4.4 enrichment: Hexanoic acid, sodium salt, Sodium caproate, Sodium capronate, Sodium n-caproate, sodium hexanoate
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 3 synonyms from kg-microbe P4.4 enrichment: Hexanoic acid, sodium salt, Sodium capronate, Sodium n-caproate
2026-04-19T07:39:23.955331+00:00	audit_mim_merge	MERGED_FROM_DUPLICATES	MAPPED	Absorbed 1 duplicate MIM record(s) into this one: Sodium_Caproate.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-05-01T07:35:35.006280+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:31.066015+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=C6H11O2.Na; inchi=InChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(; smiles=CCCCCC(=O)[O-].[Na+]
2026-05-02T03:12:16.788062+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-03T03:22:14.591856+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: CARBON_SOURCE (confidence: 0.80)
2026-06-09T05:23:46.803775+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'Na-caproate' -> 'sodium hexanoate': synced to canonical CHEBI label (preferred_term 'Na-caproate' 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
2026-08-27T03:16:39.519397+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 7/7 -> 10/10 (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]