tauroursodeoxycholic acid
A bile acid taurine conjugate derived from ursoodeoxycholic acid.
Exact Synonyms
2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
Related Synonyms
2-(((3-alpha,5-beta,7-beta)-3,7-Dihydroxy-24-oxocholan-24-yl) amino)ethanesulfonic acid
2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonic acid
3alpha,7beta-dihydroxy-5beta-cholanoyltaurine
N-(3-alpha,7-beta-Dihydroxy-5-beta-cholan-24-oyl)-Taurine
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine
N-ursodeoxycholoyltaurine
Taurolite
TUDCA
UR 906
Ursodeoxycholyltaurine
class Information
charge
0
formula
C26H45NO6S
has_alternative_id
has_dbxref
- CAS:14605-22-2
- HMDB:HMDB0000874
- KEGG:C16868
- LIPID_MAPS_instance:LMST05040015
- MetaCyc:CPD-18799
- PDBeChem:5D5
- PMID:25664595
- PMID:26282527
- PMID:26427442
- PMID:26499839
- PMID:26541419
- PMID:26748055
- PMID:26759227
- PMID:26765262
- PMID:26907328
- PMID:26922713
- PMID:26988565
- PMID:27106542
- PMID:27124655
- PMID:27154200
- PMID:27219292
- Reaxys:3228312
- Wikipedia:Tauroursodeoxycholic_acid
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1
inchikey
BHTRKEVKTKCXOH-LBSADWJPSA-N
in_subset
mass
499.706
monoisotopicmass
499.29676
smiles
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])C)[H])C
class Relations
Subclass of
- bile acid taurine conjugate
- has rolerosomebone density conservation agent
- has rolerosomeneuroprotective agent
- has rolerosomeanti-inflammatory agent
- has rolerosomeapoptosis inhibitor
- has rolerosomecardioprotective agent
- has rolerosomehuman metabolite
- has functional parentsomeursodeoxycholic acid
- is conjugate acid ofsometauroursodeoxycholate
Related from
is conjugate base of