Sodium Cholate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 98
Total Number of Articles : 135
PubChem 23668194
Molecular Formula

C24H39NaO5

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.[Na+]

InChI

InChI=1S/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

synonyms
  • SODIUM CHOLATE
  • 361-09-1
  • Sodium cholic acid
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Properties
Property Value
MW 430.6 g/mol
HBD 3
HBA 5
Rotatable Bond Count 4
Exact Mass 430.26951862 g/mol
Monoisotopic Mass 430.26951862 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 2
Complexity 643
xlogp None
Topological Polar Surface Area 101