General Information
Compound IDOSC2127
Common Name(S)-3-Hydroxybutanoyl-CoA
Synonyms Names(S)-3-Hydroxybutyryl-CoA
FormulaC25H42N7O18P3S
Formula at pH 7.2 (Predicted)C25H38N7O18P3S4-
Molecular Weight853.623
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))); OCC(C(=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
ReactionsOSR1773  OSR1847  OSR2830  
Pathways
KEGGrn00071  rn00310  rn00362  rn00380  rn00627  rn00650  rn00720  
rn01100  rn01120  rn00280  
Database Links
KEGGC01144  
ChEBI 15453