Glycochenodeoxycholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 164
Total Number of Articles : 126
PubChem 12544
Molecular Formula

C26H43NO5

SMILES

C[C@H](CCC(=O)NCC(=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/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1

synonyms
  • GLYCOCHENODEOXYCHOLIC ACID
  • 640-79-9
  • Chenodeoxycholylglycine
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Properties
Property Value
MW 449.6 g/mol
HBD 4
HBA 5
Rotatable Bond Count 6
Exact Mass 449.31412347 g/mol
Monoisotopic Mass 449.31412347 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 727
xlogp 4.3
Topological Polar Surface Area 107