BMAXS3AKa002

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 : BMAX Amino acid derivatives アミノ酸誘導体 :  BMAXS straight chain 鎖状 (83 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	6875-55-4
KEGG	C02335
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMAXS3AKa002.mol

beta-Alanyl-CoA
Structural Information
Systematic Name	S- [2- [3- [ [4- [ [ [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3- dimethylbutanoyl] amino] propanoylamino] ethyl] 3-aminopropanethioic acid
Common Name	beta-Alanyl-CoA
Symbol
Formula	C24H41N8O17P3S
Exact Mass	838.1523
Average Mass	838.6133
SMILES	n(c3N)cnc(c32)n(cn2)[C@@H]([C@@H]1O)O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(O)(=O)OCC([C@@H](O)C(NCCC(=O)NCCSC(=O)CCN)=O)(C)C)(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms