Thiamine HCl

CHEBI:49105 chemically defined MAPPED CHEBI EXACT_MATCH

Ontology mapping

Primary identifier
CHEBI:49105
Ontology label
thiamine hydrochloride
kg-microbe node
CHEBI:49105

Nutritional roles

Synonyms (26)

SynonymTypeSourceOccurrences
Role: Vitamin; Properties: Organic compound, Defined component, Simple component RAW_TEXT CultureMech
Thiamine・HCl EXACT manual
Thiamine·HCl EXACT manual
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride EXACT_SYNONYM kg_microbe
3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride EXACT_SYNONYM kg_microbe
Thiamin HCl EXACT_SYNONYM kg_microbe
Thiamin-HCl EXACT_SYNONYM kg_microbe
Thiamine Dihydrochloride EXACT_SYNONYM kg_microbe
Thiamine HCl (B ) - EXACT_SYNONYM kg_microbe
Thiamine HCl (Vitamin B ) EXACT_SYNONYM kg_microbe
Thiamine hydrochloride EXACT_SYNONYM kg_microbe
Thiamine-HCl EXACT_SYNONYM kg_microbe
thiamin dichloride EXACT_SYNONYM kg_microbe
thiamin hydrochloride EXACT_SYNONYM kg_microbe
thiamine chloride hydrochloride EXACT_SYNONYM kg_microbe
thiamine dichloride EXACT_SYNONYM kg_microbe
thiamine(2+) dichloride EXACT_SYNONYM kg_microbe
thiaminium chloride hydrochloride EXACT_SYNONYM kg_microbe
Role: Vitamin; Properties: Defined component, Simple component, Organic compound RAW_TEXT CultureMech
Role: Vitamin; Properties: Simple component, Organic compound, Defined component RAW_TEXT CultureMech
Thiamine HCl EXACT_SYNONYM kg_microbe
Role: Vitamin; Properties: Defined component, Organic compound, Simple component RAW_TEXT CultureMech
Role: Growth factor RAW_TEXT CultureMech
Thiamine HCl (Vitamin B1) RAW_TEXT merged_from_unmapped_duplicate_review_2026_05_11
Thiamine . HCl RAW_TEXT culturemech:output/ingredient_occurrences.tsv
Thiamine・HCl (see below) RAW_TEXT culturemech:output/ingredient_occurrences.tsv

Chemical properties

Cas rn
67-03-8
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-05T21:48:45.884113+00:00
Molecular formula
C12H17N4OS.Cl.HCl
Inchi
InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
Smiles
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]

Evidence (2)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

LITERATURE SUPPORTvia PubMed search ('Thiamine HCl') PMID:30744227
MS-8P medium consisted of Murashige and Skoog salts without NH4NO3, 1 mg l-1 thiamine HCl, 100 mg l-1 myo-inositol, 3.1 g l-1 glutamine and 8P organic addenda.

Auto-proposed; curator should rephrase or remove.

Occurrence statistics

Total occurrences
2,009
Distinct media
1,996

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T21:48:45.874834+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from CultureBotHT compounds_to_cas.csv (matched: Thiamine-HCl)
2026-04-05T21:48:45.876758+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from CultureBotHT compounds_to_cas.csv (matched: thiamine-HCl)
2026-04-05T21:48:45.884115+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from CultureBotHT compounds_to_cas.csv (matched: Thiamine HCl)
2026-04-05T21:48:45.889030+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from CultureBotHT compounds_to_cas.csv (matched: Thiamine·HCl)
2026-04-05T23:47:05.776154+00:00 fetch_cas_rn_with_preprocessing ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from PubChem API (ontology label) via name preprocessing (Thiamin-HCl)
2026-04-05T23:47:06.549770+00:00 fetch_cas_rn_with_preprocessing ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from PubChem API (ontology label) via name preprocessing (Thiamine dihydrochloride)
2026-04-05T23:47:06.968804+00:00 fetch_cas_rn_with_preprocessing ADDED_CAS_RN MAPPED Added CAS-RN:67-03-8 from PubChem API (ontology label) via name preprocessing (thiamine hydrochloride)
2026-04-09T00:32:50.689620+00:00 enrich_mim_cas_rn_batch CAS_RN_ADDED MAPPED Added CAS-RN 67-03-8 from PubChem (via CHEBI:49105)
2026-04-17T12:00:00+00:00 synonym_expansion_cbclaw LLM ADDED_SYNONYMS MAPPED Added 2 synonyms (unicode dot variants) for unmapped CultureMech surface forms
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 15 synonyms from kg-microbe P4.4 enrichment: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride, 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride, Thiamin HCl, Thiamin-HCl, Thiamine Dihydrochloride, ... (10 more)
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-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride, 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride, Thiamin HCl, Thiamin-HCl, Thiamine Dihydrochloride, ... (11 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 15 synonyms from kg-microbe P4.4 enrichment: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride, 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride, Thiamin HCl, Thiamine Dihydrochloride, Thiamine HCL, ... (10 more)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 15 synonyms from kg-microbe P4.4 enrichment: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride, 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride, Thiamin HCl, Thiamin-HCl, Thiamine HCL, ... (10 more)
2026-04-19T07:39:23.955331+00:00 audit_mim_merge MERGED_FROM_DUPLICATES MAPPED Absorbed 7 duplicate MIM record(s) into this one: Thiamine-hcl.yaml, Thiamine_Hydrochloride.yaml, Thiamin-hcl.yaml, Thiaminehcl.yaml, Thiamine_Dihydrochloride.yaml, Thiamine_Hydrochloride_2.yaml, Thiamine-hcl_2.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break.
2026-05-01T07:35:36.612329+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:32.687242+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C12H17N4OS.Cl.HCl; inchi=InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8); smiles=Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]
2026-05-01T08:09:48.135484+00:00 auto_classify_ingredient_type APPLY_EVIDENCE_PROPOSAL added pmid=30744227 from propose-evidence batch
2026-05-02T03:12:18.844313+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-11T06:02:00Z mediaingredientmech-agentic-curation LLM ABSORBED_UNMAPPED_DUPLICATE MAPPED Absorbed duplicate unmapped record Thiamine_HCl_(Vitamin_B1).yaml (UNMAPPED_0617); the parenthetical vitamin label is source context and the identity is thiamine hydrochloride CHEBI:49105.
2026-05-29T23:35:36.113159+00:00 extract_roles_from_synonyms ANNOTATED Added media role: VITAMIN_SOURCE (confidence: 1.00)
2026-06-09T05:23:46.843315+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'Thiamine HCl' -> 'thiamine hydrochloride': synced to canonical CHEBI label (preferred_term 'Thiamine HCl' 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
2026-08-27T03:16:39.519961+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 136/1647 -> 1996/2009 (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]
2026-08-30T04:48:06.233536+00:00 claude_culturemech_alias_backfill ADDED_SYNONYMS Added 2 CultureMech recipe surface form(s) that folded onto this record's published label but were absent from MIM's label index, so CultureMech could not resolve them: 'Thiamine . HCl' (x10 CultureMech mentions); 'Thiamine・HCl (see below)' (x1 CultureMech mentions). Source: culturemech:output/ingredient_occurrences.tsv.