General Information
Compound IDOSC2384
Common NameChenodeoxycholoyl-CoA
Synonyms Names3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA
FormulaC45H74N7O19P3S
Formula at pH 7.2 (Predicted)C45H70N7O19P3S4-
Molecular Weight1142.091
Structure
SMILESOC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OCC1OC(C(C1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)C)C)O)C
ReactionsOSR3011  OSR3012  
Pathways
KEGGrn00120  rn01100  
Database Links
KEGGC05337  
ChEBI 28701
Pubchem Compound11953854
Pubchem Substance7715