Taurocholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 470
Total Number of Articles : 744
PubChem 6675
Molecular Formula

C26H45NO7S

SMILES

C[C@H](CCC(=O)NCCS(=O)(=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/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

synonyms
  • TAUROCHOLIC ACID
  • Taurocholate
  • 81-24-3
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Properties
Property Value
MW 515.7 g/mol
HBD 5
HBA 7
Rotatable Bond Count 7
Exact Mass 515.29167395 g/mol
Monoisotopic Mass 515.29167395 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 11
Covalent Unit Count 1
Complexity 891
xlogp 2.2
Topological Polar Surface Area 153