CPD-513

Metabolite CPD-513

• smiles:
  • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
• molecular weight:
  • 911.663
• inchi key:
  • InChIKey=AAZZVFONLHYNDZ-NVQRUNIKSA-J
• common name:
  • 3-hydroxy-3-phenylpropanoyl-CoA
• Synonym(s):
  • hydroxycinnamoyl-CoA (ambiguous)
  • β-hydroxyphenyl-propionyl-CoA
  • 3-hydroxy-3-phenylpropionyl-coenzyme A
  • 3-hydroxy-3-phenylpropionyl-CoA

Reaction(s) known to consume the compound

• RXN-11278

Reaction(s) known to produce the compound

• RXN-2002

External links

• CHEBI:
  • 71294
• PUBCHEM:
  • 70680322
• LIGAND-CPD:
  • C06362

Property "Smiles" (as page type) with input value "CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" contains invalid characters or is incomplete and therefore can cause unexpected results during a query or annotation process.