BMAXS3AKa002

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Upper classes : BM Basic Metabolites : BMAX Amino acid derivatives アミノ酸誘導体 :  BMAXS straight chain 鎖状 (83 pages)



beta-Alanyl-CoA
BMAXS3AKa002.png
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
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