thiamine(1+) monophosphate(1-) (CHEBI:37574)

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

ChEBI ID	CHEBI:37574

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

Definition	An ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups.

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

Secondary ChEBI IDs	CHEBI:46189, CHEBI:15230, CHEBI:15231

Supplier Information

Download	Molfile XML SDF

Formula

C12H17N4O4PS

Net Charge

Average Mass

344.32770

Monoisotopic Mass

344.07081

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)

InChIKey

HZSAJDVWZRBGIF-UHFFFAOYSA-N

SMILES

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

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):	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(1−) (CHEBI:37574) is a ammonium betaine (CHEBI:35284) thiamine(1+) monophosphate(1−) (CHEBI:37574) is a thiamine phosphate (CHEBI:26945) thiamine(1+) monophosphate(1−) (CHEBI:37574) is a vitamin B₁ (CHEBI:26948) thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate acid of thiamine(1+) monophosphate(2−) (CHEBI:37575) thiamine(1+) monophosphate(1−) (CHEBI:37574) is conjugate base of thiamine(1+) monophosphate (CHEBI:9533)

Incoming	thiamine(1+) monophosphate (CHEBI:9533) is conjugate acid of thiamine(1+) monophosphate(1−) (CHEBI:37574) thiamine(1+) monophosphate(2−) (CHEBI:37575) is conjugate base of thiamine(1+) monophosphate(1−) (CHEBI:37574)

IUPAC Name

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

Synonyms	Sources
3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt	ChEBI
THIAMIN PHOSPHATE	PDBeChem

Last Modified

19 July 2021