ACETOACETYL-COA

Metabolite ACETOACETYL-COA

• smiles:
  • CC(=O)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-]
• molecular weight:
  • 847.577
• inchi key:
  • InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
• common name:
  • acetoacetyl-CoA
• Synonym(s):
  • 3-acetoacetyl-CoA
  • acetoacetyl-S-CoA

Reaction(s) known to produce the compound

• ACETOACETATE--COA-LIGASE-RXN

Reaction(s) of unknown directionality

• HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN
• RXN-11662
• ACETYL-COA-ACETYLTRANSFER-RXN

External links

• KNAPSACK : C00007269
• BIGG : aacoa
• LIGAND-CPD:
  • C00332
• LIPID_MAPS : LMFA07050030
• HMDB : HMDB01484
• CHEBI:
  • 57286
• DRUGBANK : DB03059
• CAS : 1420-36-6
• PUBCHEM:
  • 45266540
• METABOLIGHTS : MTBLC57286

"CC(=O)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-" cannot be used as a page name in this wiki.