Cholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 234
Total Number of Articles : 306
PubChem 221493
Molecular Formula

C24H40O5

SMILES

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

InChI

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

synonyms
  • cholic acid
  • 81-25-4
  • Cholalic acid
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Properties
Property Value
MW 408.6 g/mol
HBD 4
HBA 5
Rotatable Bond Count 4
Exact Mass 408.28757437 g/mol
Monoisotopic Mass 408.28757437 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 637
xlogp 3.6
Topological Polar Surface Area 98