Chemical

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Chemical Report for: Cholate

Cholic acid is a major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.


General
Type Natural, Sterol
Chemical_Nomenclature (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI InChI=1S/C24H40O5/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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey BHQCQFFYRZLCQQ-OELDTZBJSA-N
Other name(s) Cholic acid ; Cholalic acid ; Cholalin ; Colalin
________________________________________________________________________________________________
MW|408.57
Formula|C24H40O5
CAS_number|81-25-4
PubChem|221493
UniChem|BHQCQFFYRZLCQQ-OELDTZBJSA-N
IUPHAR|
Wikipedia|

Target
Stucture | 1 structure: 2DQY: Crystal structure of human carboxylesterase in complex with cholate and palmitate

References:
Search PubMed for references concerning: Cholate

No Reference

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster

Acknowledgements and disclaimer