结构:Cc1ncc(COP(=O)(O)O)c(C=O)c1O.O
HCID38882

Pyridoxal 5'-phosphate monohydrate

(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate;hydrate

C8H12NO7P265.16 g/molCAS 41468-25-1

IDENTITY

结构与身份

标准 SMILES
Cc1ncc(COP(=O)(O)O)c(C=O)c1O.O
InChIKey
CEEQUQSGVRRXQI-UHFFFAOYSA-N
分子式
C8H12NO7P
平均分子量
265.16 g/mol
单同位素质量
265.03513872

COMPUTED

结构计算性质

已同步
极性表面积
118 Ų
氢键供体
4
氢键受体
8
可旋转键
4
重原子
17
形式电荷
0
复杂度
292

GHS

GHS 分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.;There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate

4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrate

4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

来源:PubChem
Mechanism of Action

MC-1 is a biologically active natural product which can be regarded as a chemical entity that has been evolutionarily selected and validated for binding to particular protein domains. Thus, its underlying structural architecture, or scaffold, has already been biologically established as safe and active, providing a powerful guiding principle for novel drug and library development.

ALIASES

名称与别名

88
Pyridoxal 5'-phosphate monohydrateDTXSID7046594DTXCID50265944-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, monohydrate4-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, monohydrateRefChem:8709004-Pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(phosphonooxy)methyl-, monohydrate41468-25-1Pyridoxal phosphate hydrate(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydratePyridoxal 5'-phosphate hydratePyridoxal-5-phosphate MonohydratePYRIDOXAL-5'-PHOSPHATE MONOHYDRATEMFCD00149414(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate(1:x)C8H12NO7PPyridoxal phosphate (hydrate)Pyridoxal phosphate (monohydrate)Pyridoxal phosphate [JAN]Pyridoxal 5'-phosphate (hydrate)

REACTIONS

参与反应

5