CARBOXYMETHYL-HYDROXYPHENYLPROPCOA

Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA

• smiles:
  • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)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:
  • 968.692
• inchi key:
  • InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I
• common name:
  • 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
• Synonym(s):
  • (hydroxymethylphenyl)succinyl-CoA
  • 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA

Reaction(s) known to consume the compound

• RXN-905

Reaction(s) known to produce the compound

• RXN-902

External links

• CHEBI:
  • 28202
• PUBCHEM:
  • 90658758
• LIGAND-CPD:
  • C09819
• HMDB : HMDB12145

Property "Smiles" (as page type) with input value "CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)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.