CHEBI:9533 - thiamine(1+) monophosphate

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ChEBI Name thiamine(1+) monophosphate
ChEBI ID CHEBI:9533
Definition A 1,3-thiazolium cation that is the conjugate acid of thiamine(1+) monophosphate(1−).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H18N4O4PS
Net Charge +1
Average Mass 345.33564
Monoisotopic Mass 345.07809
InChI InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
InChIKey HZSAJDVWZRBGIF-UHFFFAOYSA-O
SMILES Cc1ncc(C[n+]2csc(CCOP(O)(O)=O)c2C)c(N)n1
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) monophosphate (CHEBI:9533) has role Escherichia coli metabolite (CHEBI:76971)
thiamine(1+) monophosphate (CHEBI:9533) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
thiamine(1+) monophosphate (CHEBI:9533) has role human metabolite (CHEBI:77746)
thiamine(1+) monophosphate (CHEBI:9533) has role mouse metabolite (CHEBI:75771)
thiamine(1+) monophosphate (CHEBI:9533) has role plant metabolite (CHEBI:76924)
thiamine(1+) monophosphate (CHEBI:9533) is a 1,3-thiazolium cation (CHEBI:63048)
thiamine(1+) monophosphate (CHEBI:9533) is conjugate acid of thiamine(1+) monophosphate(1−) (CHEBI:37574)
Incoming thiamine(1+) monophosphate chloride (CHEBI:18338) has part thiamine(1+) monophosphate (CHEBI:9533)
thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate base of thiamine(1+) monophosphate (CHEBI:9533)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
Synonyms Sources
Thiamin monophosphate KEGG COMPOUND
Thiamin phosphate KEGG COMPOUND
Thiamine monophosphate KEGG COMPOUND
Thiamine phosphate KEGG COMPOUND
TMP KEGG COMPOUND
Manual Xrefs Databases
C00019628 KNApSAcK
C01081 KEGG COMPOUND
Thiamine_monophosphate Wikipedia
TPS PDBeChem
View more database links
Registry Numbers Types Sources
1063443 Gmelin Registry Number Gmelin
3916670 Reaxys Registry Number Reaxys
3916670 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11997266 PubMed citation Europe PMC
12111441 PubMed citation Europe PMC
24583237 PubMed citation Europe PMC
IND44724844 Agricola citation Europe PMC
Last Modified
27 January 2016