BMFYB5CAa010

Latest revision as of 17:40, 16 June 2010

3-Methylglutaconyl-CoA

Structural Information
Systematic Name	(E) -5- [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] ethylsulfanyl] -3-methyl-5-oxopent-2-enoic acid
Common Name	3-Methylglutaconyl-CoA trans-3-Methylglutaconyl-CoA 3-Methyl-glutaconyl-CoA
Symbol
Formula	C27H42N7O19P3S
Exact Mass	893.1469
Average Mass	893.6454
SMILES	`C([C@H](C(NCCC(=O)NCCSC(=O)C=C(C)CC(O)=O)=O)O)(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)3)O[C@H]([C@@H]3O)n(c21)cnc(c(N)ncn2)1)(O)=O)(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

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 {{Metabolite
-|SysName=3-Methyl-glutaconyl-CoA
+|SysName=(E) -5- [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] ethylsulfanyl] -3-methyl-5-oxopent-2-enoic acid
 |Common Name=&&3-Methylglutaconyl-CoA&&trans-3-Methylglutaconyl-CoA&&3-Methyl-glutaconyl-CoA&&
-|CAS=?
+|CAS=6247-73-0
 |KEGG=C03231
 }}