BMMCBZ1Sa023

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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)



Benzylsuccinyl-CoA
BMMCBZ1Sa023.png
Structural Information
Systematic Name (3R) -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] -4-oxo-3- (phenylmethyl) butanoic acid
Common Name
  • Benzylsuccinyl-CoA
  • (R) -2-Benzylsuccinyl-CoA
  • Benzyl-succinyl-CoA
Symbol
Formula C32H46N7O19P3S
Exact Mass 957.1782
Average Mass 957.7307
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(NCCSC(=O)C(CC(O)=O)Cc(c1)cccc1)=O)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
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IR Spectra
NMR Spectra
Chromatograms


Related Atomic Mappings, Enzymes, and Pathways


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