Deoxycholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 716
Total Number of Articles : 891
PubChem 222528
Molecular Formula

C24H40O4

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

synonyms
  • DEOXYCHOLIC ACID
  • 83-44-3
  • Desoxycholic acid
Click to show/hide the synonyms
Properties
Property Value
MW 392.6 g/mol
HBD 3
HBA 4
Rotatable Bond Count 4
Exact Mass 392.29265975 g/mol
Monoisotopic Mass 392.29265975 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 605
xlogp 4.9
Topological Polar Surface Area 77.8