BMMCBZ1Sa018

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Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 :  BMMCBZ1S 0-1 substitution (53 pages)



Benzoylsuccinyl-CoA
BMMCBZ1Sa018.png
Structural Information
Systematic Name (3R) -3- [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] ethylsulfanylcarbonyl] -4-oxo-4-phenylbutanoic acid
Common Name
  • Benzoylsuccinyl-CoA
  • 2-Benzoylsuccinyl-CoA
  • Benzoyl-succinyl-CoA
Symbol
Formula C32H44N7O20P3S
Exact Mass 971.1574
Average Mass 971.7142
SMILES C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]([C@@H]2n(c34)cnc3c(ncn4)N)O)(O)=O)C(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(c(c1)cccc1)=O)O
Physicochemical Information
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Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
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