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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) monophosphate(1−)
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
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Formula C12H17N4O4PS
Net Charge 0
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)
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 )
View more via ChEBI Ontology
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)
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
Registry Numbers Types Sources
1056035 Gmelin Registry Number Gmelin
3917125 Beilstein Registry Number Beilstein
495-23-8 CAS Registry Number ChEBI
Last Modified
19 July 2021