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41468-25-1 分子结构
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[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid

ChemBase编号:1
分子式:C8H10NO6P
平均质量:247.141861
单一同位素质量:247.02457368
SMILES和InChIs

SMILES:
P(=O)(OCc1c(c(O)c(nc1)C)C=O)(O)O
Canonical SMILES:
O=Cc1c(COP(=O)(O)O)cnc(c1O)C
InChI:
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey:
NGVDGCNFYWLIFO-UHFFFAOYSA-N

引用这个纪录

CBID:1 http://www.chembase.cn/molecule-1.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy]phosphonic acid
IUPAC传统名
pyridoxal phosphate
商标名
Hairoxal
Hiadelon
Himitan
Vitazechs
Biosechs
Pidopidon
别名
PLP
Pyridoxal 5'-phosphate
Pyridoxal 5-phosphate
Pyridoxal-P
Pyridoxal P
Vitamin B6
Pyridoxal-5P
Codecarboxylase
Pyromijin
3-Hydroxy-2-methyl-5-([phosphonooxy]methyl)-4-pyridinecarboxaldehyde
Pyridoxal 5′-phosphate hydrate
3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde
Pyridoxal Phosphate
Pyridoxal 5-(Dihydrogen Phosphate)
2-Methyl-3-hydroxy-4-formyl-5-pyridyl-methylphosphoric Acid
3-Hydroxy-5-(hydroxymethyl)-2-methyl-isonicotinaldehyde 5-Phosphate
Apolon B6
Biosechs
Coenzyme B6
Hairoxal
Hexermin P
Hi-Pyridoxin
Hiadelon
NSC 82388
Phosphopyridoxal
Piodel
Pydoxal
Pyridoxal Monophosphate
Vitazechs
Pyridoxal 5'-Phosphate
(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
PYRIDOXAL-5-PHOSPHATE MONOHYDRATE
Pyridoxal Phosphate
Pyrido
PYRIDOXAL-5-PHOSPHATE
CAS号
41468-25-1
853645-22-4
54-47-7
EC号
200-208-3
MDL号
MFCD00006333
Beilstein号
234749
PubChem SID
46506428
24899020
160963464
24898438
PubChem CID
1051

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 1.6802986  质子受体
质子供体 LogD (pH = 5.5) -2.3409967 
LogD (pH = 7.4) -3.1810691  Log P -2.0856087 
摩尔折射率 54.7463 cm3 极化性 20.725895 Å3
极化表面积 116.95 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.55  LOG S -1.64 
溶解度 5.70e+00 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
熔点
140-143°C expand 查看数据来源
140-143 °C expand 查看数据来源
溶解度
Appreciable expand 查看数据来源
外观
powder expand 查看数据来源
疏水性(logP)
-1.2 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
保存条件
0°C expand 查看数据来源
RTECS编号
UV1208000 expand 查看数据来源
纯度
≥98% expand 查看数据来源
95+% expand 查看数据来源
~98% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
适用性
suitable for cell culture expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB00114 external link
Item Information
Drug Groups nutraceutical
Description This is the active form of vitamin B6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (pyridoxamine). [PubChem]
Indication For nutritional supplementation and for treating dietary shortage or imbalance.
Pharmacology The two major forms of vitamin B6 are pyridoxine and pyridoxamine. In the liver they are converted to pyridoxal phosphate (PLP) which is a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Pyroluria is one potential cause of vitamin B6 deficiency.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
PDRhealth
MP Biomedicals -  02194731 external link
Cell Culture Reagent
Monohydrate
Purity: ~98%
MP Biomedicals -  02102769 external link
Monohydrate
Purity: ~98%
Off-white crystals Useful for modifying lysyl and valyl residues in proteins.
Sigma Aldrich -  P9255 external link
Application
Enzyme cofactor.Normal coenzyme form of Vitamin B6
包装
1, 5, 25 g in poly bottle
Biochem/physiol Actions
Pyridoxal 5′-phosphate (PLP) is used as a cofactor for a wide range of enzymes including mitochondrial cysteine desulfurase, cystathionine γ-synthase (CGS), ornithine 4,5-aminomutase (OAM), and d-serine dehydratase. PLP is used in the studies of PLP-dependent enzyme active sites.
Sigma Aldrich -  P3657 external link
General description
Pyridoxal-phosphate (PLP, pyridoxal-5′-phosphate, P5P) is a prosthetic group of some enzymes. It is the active form of vitamin B6, which comprises three natural organic compounds, pyridoxal, pyridoxamine and pyridoxine. PLP acts as a coenzyme in all transamination reactions, and in some decarboxylation and deamination reactions of amino acids.
Toronto Research Chemicals -  P991715 external link
Vitamin (enzyme co-factor).

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Lichstein, et al.: J. Biol. Chem., 161, 311 (1945)
  • McPhalen, C., et al.: J. Mol. Biol., 225, 495 (1945)
  • Fenn, T., et al.: Biochemistry, 44, 5317 (1945)
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专利

专利

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