Taurochenodeoxycholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 102
Total Number of Articles : 78
PubChem 387316
Molecular Formula

C26H45NO6S

SMILES

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

InChI

InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

synonyms
  • TAUROCHENODEOXYCHOLIC ACID
  • 516-35-8
  • Taurochenodesoxycholic acid
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Properties
Property Value
MW 499.7 g/mol
HBD 4
HBA 6
Rotatable Bond Count 7
Exact Mass 499.29675933 g/mol
Monoisotopic Mass 499.29675933 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 858
xlogp 3.6
Topological Polar Surface Area 132