0.2% Thiamine pyrophosphate

kgmicrobe.ingredient:0_2_thiamine_pyrophosphate chemically defined MAPPED kgmicrobe.ingredient FALLBACK_REGISTRY

Ontology mapping

Primary identifier
kgmicrobe.ingredient:0_2_thiamine_pyrophosphate
kg-microbe node
CHEBI:9532

Nutritional roles

Synonyms (7)

SynonymTypeSourceOccurrences
Role: Vitamin; Properties: Organic compound, Solution, Defined component RAW_TEXT CultureMech
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium 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 EXACT_SYNONYM kg_microbe
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium EXACT_SYNONYM kg_microbe
ThDP EXACT_SYNONYM kg_microbe
ThPP EXACT_SYNONYM kg_microbe
thiamine-pyrophosphate EXACT_SYNONYM kg_microbe

Chemical properties

Cas rn
154-87-0
Data source
NCI CACTUS Chemical Identifier Resolver
Retrieval date
2026-04-05T21:52:09.127416+00:00
Molecular formula
C12H19N4O7P2S
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)/p+1
Smiles
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1

Evidence (2)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#288/#320)

identifier/ontology_id CHEBI:9532 -> kgmicrobe.ingredient:0_2_thiamine_pyrophosphate. This record is a 0.2% stock SOLUTION, not the pure compound, and it was holding CHEBI:9532 ('thiamine(1+) diphosphate') — the term the pure-compound record needs. #288 established that stock solutions take a kgmicrobe.ingredient: identifier with FALLBACK_REGISTRY; this applies that rule and frees the ChEBI term. Its recorded CAS 154-87-0 is the chloride's, so that field was never evidence for the ChEBI term either.

Occurrence statistics

Total occurrences
1
Distinct media
1

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T21:52:09.127441+00:00 fetch_cas_rn_from_cactus ADDED_CAS_RN MAPPED Added CAS-RN:154-87-0 from NCI CACTUS via name lookup (0.2% Thiamine pyrophosphate)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 6 synonyms from kg-microbe P4.4 enrichment: 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,6-trihydroxy-4,6-dioxido-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium, ThDP, ThPP, ... (1 more)
2026-05-01T07:35:31.640716+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:27.432867+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C12H19N4O7P2S; 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)n1
2026-05-02T03:12:11.738707+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.109576+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
2026-08-13T00:00:00+00:00 reground_edta_thiamine MINTED_REGISTRY_FOR_STOCK_SOLUTION identifier/ontology_id CHEBI:9532 -> kgmicrobe.ingredient:0_2_thiamine_pyrophosphate (#288/#320); a 0.2% stock solution is not the pure compound.