基本情報
- CAS
3475-65-8- 標準SMILES
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1- InChIKey
IWLROWZYZPNOFC-UHFFFAOYSA-O- 分子式
- C12H20N4O10P3S+
- 平均分子量
- 505.3 g/mol
- 単同位体質量
- 505.01130001
概要
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 an Arabidopsis thaliana metabolite, a mammalian metabolite, a mouse metabolite, a fungal metabolite, an Escherichia coli metabolite, a human metabolite and a rat metabolite. It is a thiamine phosphate and a vitamin B1. It is a conjugate acid of a thiamine(1+) triphosphate(1-).
名称と識別子
- 優先名称
- Thiamine Triphosphate
- IUPAC
- [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 現地名
- チアミン三リン酸
- 英語名
- Thiamine Triphosphate
- 分子式
- C12H19N4O10P3S
- 分子量
- 504.28
名称と別名
Thiamine triphosphatethiamin triphosphate(2-(3-((4-amino-2-methyl-pyrimidin-5-yl)methyl)-4-methyl-thiazol-3-ium-5-yl)ethoxy-hydroxy-phosphoryl) phosphono hydrogen phosphate[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxy-hydroxy-phosphoryl] phosphono hydrogen phosphateTriphosphate, ThiaminTriphosphate, ThiamineRefChem:38931215666-52-1thiamine(1+) triphosphateCHEMBL3275133Thiamin triphosphic acid2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl trihydrogen triphosphate
名称をさらに表示
3-[(4-アミノ-2-メチルピリミジン-5-イル)メチル]-4-メチル-5-[2-({オキシド[(ホスホノ ホスホナト)オキシ]ホスホリル}オキシ)エチル]-1,3-チアゾール-3-イウム3-[(4-アミノ-2-メチル-5-ピリミジニル)メチル]-4-メチル-5-[2-(ホスホノオキシホスフィナトオキシホスフィナトオキシ)エチル]チアゾリウムチアミン三リン酸Thiamine Triphosphate TrioctylamineC03028Thiamine Impurity 38Tocopherol Impurity 15Rasagiline Impurity 33-13C3IWLROWZYZPNOFC-UHFFFAOYSA-N
物性
構造計算による物性
- XLogP
- -2.3
- 極性表面積
- 244 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 14
- 回転可能結合数
- 10
- 重原子数
- 30
- 形式電荷
- 1
- 複雑度
- 728
実験および物理化学的性質
Physical DescriptionSolid
物理化学的性質
- 溶解性
- Water (Slightly)
- 外見
- Solid
- 色
- White to Pale Yellow
- 安定性
- Hygroscopic, Unstable in Solution
化学と産業
薬理情報
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Cellular LocationsExtracellular
Metabolite PathwaysThiamine Metabolism
応用分野
使用Thiamine Triphosphate is a derivative of Thiamine (T344185) which is a essential nutrient required for carbohydrate metabolism.
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