Taurolithocholic acid

Taurolithocholic acid is a bile acid.

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Taurolithocholic acid

Names
IUPAC name 2-(3α-Hydroxy-5β-cholan-24-amido)ethane-1-sulfonic acid
Systematic IUPAC name 2-{(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-Hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido}ethane-1-sulfonic acid
Identifiers
CAS Number	516-90-5 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:36259 N
ChemSpider	388820 N
IUPHAR/BPS	4548
PubChem CID	439763
CompTox Dashboard (EPA)	DTXSID20965925
InChI InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 N Key: QBYUNVOYXHFVKC-GBURMNQMSA-N N InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 Key: QBYUNVOYXHFVKC-GBURMNQMBI
SMILES C[C@H](CCC(=O)NCCS(=O)(=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
Properties
Chemical formula	C26H45NO5S
Molar mass	483.70 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

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More than 50 types of secondary bile acids produced by microbes from the primary bile acids (cholic acid and chenodeoxycholic acid in humans) can be found in human feces.^[1] This includes the secondary bile acid taurolithocholic acid.^[1]