Ontology mapping
- Primary identifier
-
CHEBI:9532 - Ontology label
- thiamine(1+) diphosphate
- kg-microbe node
CHEBI:9532
Nutritional roles
- Role
- VITAMIN_SOURCE
- Confidence
- 1.0
- Evidence
- Reference type
- DATABASE_ENTRY
- Reference text
- Imported from CultureMech pipeline
- Curator note
- Original role text: Vitamin Source
Synonyms (21)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Role: Vitamin; Properties: Organic compound, Defined component, Simple component | RAW_TEXT | CultureMech | |
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride | EXACT_SYNONYM | kg_microbe | |
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride | EXACT_SYNONYM | kg_microbe | |
| 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride | EXACT_SYNONYM | kg_microbe | |
| Coenzymate | EXACT_SYNONYM | kg_microbe | |
| Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide | EXACT_SYNONYM | kg_microbe | |
| cocarboxilasa | EXACT_SYNONYM | kg_microbe | |
| cocarboxylase | EXACT_SYNONYM | kg_microbe | |
| cocarboxylase chloride | EXACT_SYNONYM | kg_microbe | |
| cocarboxylasum | EXACT_SYNONYM | kg_microbe | |
| thiamine diphosphate chloride | EXACT_SYNONYM | kg_microbe | |
| thiamine diphosphoric acid ester chloride | EXACT_SYNONYM | kg_microbe | |
| thiamine(1+) diphosphate chloride | EXACT_SYNONYM | kg_microbe | |
| thiaminium diphosphoric acid ester chloride | EXACT_SYNONYM | kg_microbe | |
| thiaminium pyrophosphate chloride | EXACT_SYNONYM | kg_microbe | |
| thiaminium pyrophosphoric acid ester chloride | EXACT_SYNONYM | kg_microbe | |
| vitamin B1 pyrophosphate chloride | EXACT_SYNONYM | kg_microbe | |
| Co Carboxylase | EXACT_SYNONYM | merged_from_duplicate_mim_record | |
| thiamine pyrophosphate chloride | EXACT | CHEBI | |
| TPP | RELATED | historical_nomenclature | |
| Co-carboxylase | EXACT_SYNONYM | unmapped_duplicate_review_2026_05_07 |
Rejected enrichment labels (3)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium | REJECTED_LABEL | kg_microbe | |
| pyrithiamine diphosphate | REJECTED_LABEL | kg_microbe | |
| pyrithiamine pyrophosphate | REJECTED_LABEL | kg_microbe |
Chemical properties
- Cas rn
- 136-09-4
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:54:04.079657+00:00
- Molecular formula
- C12H19N4O7P2S.Cl
- Inchi
- InChI=1S/C12H18N4O7P2S.ClH/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);1H
- Smiles
- Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]
Evidence (2)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
DATABASE_MATCH
via MIM curation (#319/#320)
identifier/ontology_id CHEBI:18290 -> CHEBI:9532. ChEBI's live definition of CHEBI:18290 is 'an organic CHLORIDE SALT of thiamine(1+) diphosphate' — a counterion this record's label never mentions. CHEBI:9532 is the compound itself; 'pyrophosphate' and 'diphosphate' are the same moiety under two naming conventions, hence SYNONYM_MATCH. The term was freed by moving the 0.2% stock solution to a minted identifier per #288. The existing SSSOM row already flagged this as 'SYMMETRIC: charge/protonation/ester variant'.
Occurrence statistics
- Total occurrences
- 26
- Distinct media
- 26
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 |
| 2026-04-05T19:54:04.079678+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:136-09-4 from PubChem API via name lookup (Thiamine pyrophosphate) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 16 synonyms from kg-microbe P4.4 enrichment: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride, Coenzymate, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide, ... (11 more) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | REMAPPED | MAPPED | Remapped CHEBI:45395 (pyrithiamine pyrophosphate, a thiamine antimetabolite) → CHEBI:18290 (thiamine diphosphate chloride). Cocarboxylase is the historical name for the active coenzyme form of thiamine. |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 3 synonyms from kg-microbe P4.4 enrichment: 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium, pyrithiamine diphosphate, pyrithiamine pyrophosphate |
| 2026-04-19T07:39:23.955331+00:00 | audit_mim_merge | MERGED_FROM_DUPLICATES | MAPPED | Absorbed 1 duplicate MIM record(s) into this one: Co_Carboxylase.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break. |
| 2026-05-01T07:35:36.622557+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.698206+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C12H19N4O7P2S.Cl; inchi=InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21; smiles=Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1. | |
| 2026-05-02T03:12:18.856233+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-07T00:00:00+00:00 | unmapped_duplicate_review_2026_05_07 | MERGED_FROM_UNMAPPED_DUPLICATE | MAPPED | Absorbed duplicate unmapped record Co-carboxylase.yaml (UNMAPPED_0360); local OAK CHEBI resolves CHEBI:18290 and lists cocarboxylase as a synonym. |
| 2026-05-29T23:35:36.113169+00:00 | extract_roles_from_synonyms | ANNOTATED | Added media role: VITAMIN_SOURCE (confidence: 1.00) | |
| 2026-06-09T05:23:46.843417+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Thiamine pyrophosphate' -> 'thiamine(1+) diphosphate chloride': synced to canonical CHEBI label (preferred_term 'Thiamine 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 | |
| 2026-08-13T00:00:00+00:00 | reground_edta_thiamine | REGROUNDED_OFF_SALT_TERM | identifier/ontology_id CHEBI:18290 (chloride salt) -> CHEBI:9532; mapping_quality -> SYNONYM_MATCH (#319/#320). | |
| 2026-08-27T03:16:39.519963+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 17/17 -> 26/26 (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] | |
| 2026-09-09T00:00:00+00:00 | fix_kg_microbe_node_id_drift | CORRECTED | kg_microbe_node_id CHEBI:18290 -> CHEBI:9532 (#554). The compatibility node id lagged a same-prefix identifier correction; the downstream node id must match the curated identifier unless a record intentionally crosses CURIE prefixes. | |
| 2026-09-20T00:00:00Z | retire_wrong_compound_synonyms LLM | CORRECTED | Marked 3 synonym(s) non-resolving: ['1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium', 'pyrithiamine diphosphate', 'pyrithiamine pyrophosphate']. ChEBI gives these names to CHEBI:45395, not to this record's CHEBI:9532 -- thiamine pyrophosphate is not pyrithiamine pyrophosphate, its antagonist. Kept as REJECTED_LABEL so a rebuild cannot restore them from kg-microbe's synonym list (#669). |