BMFYB4CAa019

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{{Metabolite
 
{{Metabolite
|SysName=Itaconyl-CoA
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|SysName=4- [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] -2-methylidene-4-oxobutanoic acid
 
|Common Name=&&Itaconyl-CoA&&
 
|Common Name=&&Itaconyl-CoA&&
|CAS=?
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|CAS=6008-93-1
 
|KEGG=C00531
 
|KEGG=C00531
 
}}
 
}}

Latest revision as of 16:49, 16 June 2010


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Upper classes : BM Basic Metabolites : BMFY Fatty acyl 脂肪酸 :  BMFYB branched chain 分岐 (200 pages)



Itaconyl-CoA
BMFYB4CAa019.png
Structural Information
Systematic Name 4- [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] -2-methylidene-4-oxobutanoic acid
Common Name
  • Itaconyl-CoA
Symbol
Formula C26H40N7O19P3S
Exact Mass 879.1312
Average Mass 879.6188
SMILES C([C@H](C(NCCC(NCCSC(=O)CC(C(O)=O)=C)=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
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Density
Optical Rotation
Reflactive Index
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Spectral Information
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