Ontology mapping
- Primary identifier
-
CHEBI:45931 - Ontology label
- thiamine(1+) diphosphate(1-)
Nutritional roles
- Role
- VITAMIN_SOURCE
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from CHEBI ancestry: subclass/has_role of CHEBI:33229 (vitamin (role))
- Curator note
- Provisional role inferred from CHEBI is_a/has_role closure; review recommended.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate | EXACT_SYNONYM | kg_microbe |
Chemical properties
- Cas rn
- 136-09-4
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:54:02.826667+00:00
- Molecular formula
- C12H18N4O7P2S
- Inchi
- InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
- Smiles
- Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 2
- Distinct media
- 2
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 |
| 2026-04-05T19:54:02.826692+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:136-09-4 from PubChem API via name lookup (Thiamin pyrophosphate) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 1 synonyms from kg-microbe P4.4 enrichment: 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl dihydrogen diphosphate |
| 2026-05-01T07:35:36.591233+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.664309+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C12H18N4O7P2S; inchi=InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-; smiles=Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N) | |
| 2026-05-02T03:12:18.817871+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-30T00:34:39.698742+00:00 | infer_roles_from_chebi_ancestry | ANNOTATED | Added media role: VITAMIN_SOURCE (confidence: 0.70) | |
| 2026-06-09T05:23:46.843020+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Thiamin pyrophosphate' -> 'thiamine(1+) diphosphate(1-)': synced to canonical CHEBI label (preferred_term 'Thiamin pyrophosphate' 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 | |
| 2026-08-10T00:00:00+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 'thiamine(1+) diphosphate(1-)'; it matches the ChEBI synonym 'thiamin pyrophosphate' on CHEBI:45931. 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). | |
| 2026-08-27T03:16:39.519954+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 1/1 -> 2/2 (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] |