Ca-pantothenate

CHEBI:31345 chemically defined REJECTED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
CHEBI:31345
Ontology label
Calcium pantothenate

Nutritional roles

Synonyms (4)

SynonymTypeSourceOccurrences
Role: Vitamin; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
Role: Vitamin; Properties: Simple component, Organic compound, Defined component RAW_TEXT CultureMech
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate EXACT_SYNONYM kg_microbe
Ca pantotenate EXACT_SYNONYM kg_microbe

Chemical properties

Cas rn
137-08-6
Data source
PubChem API (preprocessed)
Retrieval date
2026-04-05T23:43:20.164598+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/t7-/m0/s1
Smiles
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T23:43:20.164608+00:00 fetch_cas_rn_with_preprocessing ADDED_CAS_RN MAPPED Added CAS-RN:137-08-6 from PubChem API (preprocessed) via name preprocessing (Ca-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-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate, Ca pantotenate
2026-05-01T07:35:32.484560+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.301871+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@@H](O)C(=O)NCCC(=O)[O-]
2026-05-02T03:12:12.936758+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.110299+00:00 extract_roles_from_synonyms ANNOTATED Added media role: VITAMIN_SOURCE (confidence: 1.00)
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
2026-08-10T00:00:00+00:00 regrade_synonym_matches REGRADED_EXACT_TO_SYNONYM mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label '(R)-pantothenate'; it matches the ChEBI synonym '3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate' on CHEBI:29032. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch).
2026-08-10T00:00:00+00:00 merge_salt_label_duplicates MERGED_INTO Merged into CHEBI:31345 'Calcium pantothenate'; occurrences transferred. Tombstoned REJECTED, SSSOM rows dropped. Same substance under two names — the abbreviated `Ca-` prefix is why the earlier merge pass missed it (#315).
2026-08-15T00:00:00+00:00 fix_tombstone_pointers REFRESHED_TOMBSTONE_ONTOLOGY_ID ontology_id CHEBI:29032 -> CHEBI:31345 (#360). The merge set identifier and status but left ontology_mapping untouched, so this tombstone kept advertising a term it no longer asserts — anything indexing by ontology_id routed through it. Now agrees with the merge target 'Calcium pantothenate'. Provenance is unaffected: what the record used to assert is in this history.