BMCCPUAP0037

Basic Metabolism Top (代謝トップ)

Molecule Index (化合物索引)

EC classes ( EC分類)

Input New Data (新規入力)

Upper classes : BM Basic Metabolites : BMCC Conjugated cycle 共役環 : BMCCPU purine ring プリン環 :  BMCCPUAP アデニン（ヌクレオチド） (43 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	5542-28-9
KEGG	C01260
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPUAP0037.mol

P1,P4-Bis (5'-adenosyl) tetraphosphate
Structural Information
Systematic Name	[ [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] [(2R,3S,4R,5R) -5- (6-aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methyl hydrogen phosphate
Common Name	P1,P4-Bis (5'-adenosyl) tetraphosphate AppppA
Symbol
Formula	C20H28N10O19P4
Exact Mass	836.0482
Average Mass	836.3873
SMILES	OP(=O)(OP(OP(O)(=O)OP(O)(=O)OC[C@H]([C@H]6O)O[C@H]([C@@H]6O)n(c5)c(n4)c(n5)c(N)nc4)(O)=O)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Related Atomic Mappings, Enzymes, and Pathways

• ADP ⇔ this
• ATP ⇔ this
• this ⇔ ADP (2nd)
• this ⇔ ADP (3rd)

• EC2.7.7.53
• EC3.6.1.41