[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3cdf1a9c0624fcdaf66b91b4437d25a.png "[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
50851-39-3
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Formula:
C12H20N4O10P3S+
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Chemical Name:
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
Thiamin Triphosphate;Thiamine Triphosphate;Triphosphate, Thiamin;Triphosphate, Thiamine;Thiamine triphosphate;thiamin triphosphate;thiamine(1+) triphosphate;ThTP;3475-65-8;CHEBI:9534;Thiamin triphosphic acid;[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;SCHEMBL675863;CHEMBL3307173;ZINC8218065;AKOS030255120;Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-(4,6,8,8-tetrahydroxy-4,6,8-trioxido-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)-,inner salt;C03028;Q27108430;[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium;V4E
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CAS No:
Description
Solid
Thiamine(1+) triphosphate is a thiamine phosphate that is thiamine(1+) in which the hydroxy group is replaced by a triphosphate group. It is found in low amounts in most vertebrate tissues and can phosphorylate certain proteins. It has a role as a mouse metabolite, an Escherichia coli metabolite, a rat metabolite, a human metabolite, an Arabidopsis thaliana metabolite, a mammalian metabolite and a fungal metabolite. It is a thiamine phosphate and a vitamin B1. It is a conjugate acid of a thiamine(1+) triphosphate(1-).|3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)thiazolium hydroxide, inner salt, P,P',P''-trioxide. The triphosphate ester of thiamine. In Leigh's disease, this compound is present in decreased amounts in the brain due to a metabolic block in its formation.
[2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
505.30 g/mol
505.01130001 g/mol
Drug Information
A group of water-soluble vitamins, some of which are COENZYMES. (See all compounds classified as Vitamin B Complex.)
Thiamin Triphosphate
Computed Properties
Molecular Weight:505.30
XLogP3:-2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:505.01130001
Monoisotopic Mass:505.01130001
Topological Polar Surface Area:244
Heavy Atom Count:30
Formal Charge:1
Complexity:728
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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