General Information
Compound IDOSC2104
Common NameAcetoacetyl-CoA
Synonyms NamesAcetoacetyl coenzyme A ;3-Acetoacetyl-CoA
FormulaC25H40N7O18P3S
Formula at pH 7.2 (Predicted)C25H36N7O18P3S4-
Molecular Weight851.607
Structure
SMILESCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3)))
ReactionsOSR2449  OSR2802  OSR2822  OSR2830  OSR2831  OSR2902  
Pathways
KEGGrn00071  rn00072  rn00280  rn00310  rn00362  rn00380  rn00620  
rn00630  rn00640  rn00650  rn00720  rn00900  rn01100  rn01110  
rn01120  
MetacycP127-PWY  PWY-922  CENTFERM-PWY  PWY-5177  
Database Links
KEGGC00332  
ChEBI 15345