Pantothenate

CHEBI:16454 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:16454
Ontology label
pantothenate

Nutritional roles

Synonyms (5)

SynonymTypeSourceOccurrences
Cross-references: KEGG:pnto-R RAW_TEXT CultureMech
Role: Vitamin; Properties: Defined component, Simple component, Organic compound RAW_TEXT CultureMech
Role: Vitamin; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate EXACT_SYNONYM kg_microbe
N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate EXACT_SYNONYM kg_microbe

Chemical properties

Cas rn
20938-62-9
Data source
PubChem API
Retrieval date
2026-04-05T19:53:36.892289+00:00
Molecular formula
C9H16NO5
Inchi
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1
Smiles
CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
36
Distinct media
36

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T19:53:36.892310+00:00 fetch_cas_rn_from_pubchem ADDED_CAS_RN MAPPED Added CAS-RN:20938-62-9 from PubChem API via name lookup (Pantothenate)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 2 synonyms from kg-microbe P4.4 enrichment: 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate, N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate
2026-05-01T07:35:35.696043+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:31.805760+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C9H16NO5; inchi=InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(1; smiles=CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]
2026-05-02T03:12:17.628984+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.112547+00:00 extract_roles_from_synonyms ANNOTATED Added media role: VITAMIN_SOURCE (confidence: 1.00)
2026-06-09T05:23:46.817080+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'Pantothenate' -> 'pantothenate': synced to canonical CHEBI label (preferred_term 'Pantothenate' unchanged).
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): VITAMIN_SOURCE -> nutritional_roles.VITAMIN_SOURCE
2026-08-27T03:16:39.519663+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 31/31 -> 36/36 (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]