BMMCBZ2Pa030

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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 :  BMMCBZ2P with 2 substitutions (para) (64 pages)



4-Hydroxyphenylacetyl-CoA
BMMCBZ2Pa030.png
Structural Information
Systematic Name S- [2- [3- [ [(2R) -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] 2- (4-hydroxyphenyl) ethanethioic acid
Common Name
  • 4-Hydroxyphenylacetyl-CoA
  • 4-Hydroxy-phenyl-acetyl-CoA
Symbol
Formula C29H42N7O18P3S
Exact Mass 901.1519
Average Mass 901.6674
SMILES C(C([C@H](C(=O)NCCC(NCCSC(Cc(c4)ccc(c4)O)=O)=O)O)(C)C)OP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O
Physicochemical Information
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