Type : Natural, Steroid, Detergent, Phenanthrene, Surfactant
Chemical_Nomenclature : 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Canonical SMILES : CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
InChI : InChI=1S\/C26H45NO6S\/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3\/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)\/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-\/m1\/s1
InChIKey : AWDRATDZQPNJFN-VAYUFCLWSA-N
Other name(s) : Taurodeoxycholic acid, Deoxycholyltaurine, Tudcabil, Taurodesoxycholic acid, TDOC, CHEBI:9410, NaTDC, CHEMBL412272
MW : 499.7
Formula : C26H45NO6S
CAS_number : 516-50-7
PubChem : 2733768
UniChem : AWDRATDZQPNJFN-VAYUFCLWSA-N
Families : No family
Protein : No protein
No reference