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

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

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ChEBI ID	CHEBI:37575
ChEBI Name	thiamine(1+) monophosphate(2−)
Stars
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.
Last Modified	19 July 2021
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C12H16N4O4PS
Net Charge	-1
Average Mass	343.325
Monoisotopic Mass	343.06354
SMILES	Cc1ncc(C[n+]2csc(CCOP(=O)([O-])[O-])c2C)c(N)n1
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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.
Application:	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.

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
Incoming Relation(s)	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

UniProt Name	Source
thiamine phosphate	UniProt

Manual Xrefs	Databases
THIAMINE-P	MetaCyc

Registry Numbers	Sources
Beilstein:7232643	Beilstein