thiamine(1+) monophosphate(2-) (CHEBI:37575)

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ChEBI Name	thiamine(1+) monophosphate(2−)

ChEBI ID	CHEBI:37575

ChEBI ASCII Name	thiamine(1+) monophosphate(2-)

Definition	An organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1−), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H16N4O4PS

Net Charge

-1

Average Mass

343.31976

Monoisotopic Mass

343.06354

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-M

SMILES

Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. (via B vitamin )

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. (via B vitamin )

ChEBI Ontology
Outgoing	thiamine(1+) monophosphate(2−) (CHEBI:37575) has role human metabolite (CHEBI:77746) thiamine(1+) monophosphate(2−) (CHEBI:37575) is a organophosphate oxoanion (CHEBI:58945) thiamine(1+) monophosphate(2−) (CHEBI:37575) is a thiamine phosphate (CHEBI:26945) thiamine(1+) monophosphate(2−) (CHEBI:37575) is a vitamin B₁ (CHEBI:26948) thiamine(1+) monophosphate(2−) (CHEBI:37575) is conjugate base of thiamine(1+) monophosphate(1−) (CHEBI:37574)

Incoming	thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate acid of thiamine(1+) monophosphate(2−) (CHEBI:37575)

IUPAC Name

2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl phosphate

Synonym	Source
thiamine phosphate	UniProt

Registry Number	Type	Source
7232643	Beilstein Registry Number	Beilstein

Last Modified

19 July 2021