Lithocholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 373
Total Number of Articles : 387
PubChem 9903
Molecular Formula

C24H40O3

SMILES

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

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

synonyms
  • LITHOCHOLIC ACID
  • 434-13-9
  • Lithocolic acid
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Properties
Property Value
MW 376.6 g/mol
HBD 2
HBA 3
Rotatable Bond Count 4
Exact Mass 376.29774513 g/mol
Monoisotopic Mass 376.29774513 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 574
xlogp 6.3
Topological Polar Surface Area 57.5