3-METHYL-CROTONYL-COA

Metabolite 3-METHYL-CROTONYL-COA

• smiles:
  • CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C
• molecular weight:
  • 845.604
• inchi key:
  • InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
• common name:
  • 3-methylcrotonyl-CoA
• Synonym(s):
  • β-methylcrotonoyl-CoA
  • 3-methylbut-2-enoyl-CoA

Reaction(s) known to consume the compound

• METHYLCROTONYL-COA-CARBOXYLASE-RXN

Reaction(s) known to produce the compound

• RXN-11921
• IVCDH
• RXN0-2301

Reaction(s) of unknown directionality

• RXN-14264
• ECH_LPAREN_3hivcoa_RPAREN_

External links

• PUBCHEM:
  • 45266575
• REFMET : 3-methylbut-2-enoyl-CoA
• CHEBI:
  • 57344
• HMDB : HMDB01493
• LIGAND-CPD:
  • C03069
• METABOLIGHTS : MTBLC57344

"CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C" cannot be used as a page name in this wiki.