BMFYS9ESa001

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 : BMFY Fatty acyl 脂肪酸 :  BMFYS straight chain 鎖状 (290 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	50411-91-1
KEGG	C05265
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS9ESa001.mol

3-Oxodecanoyl-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-oxodecanethioic acid
Common Name	3-Oxodecanoyl-CoA 3-Oxo-decanoyl-CoA
Symbol
Formula	C31H52N7O18P3S
Exact Mass	935.2302
Average Mass	935.7682
SMILES	n(c(N)1)cnc(n([C@H](O3)[C@@H]([C@@H]([C@H]3COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(NCCSC(CC(CCCCCCC)=O)=O)=O)OP(O)(O)=O)O)2)c(nc2)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms