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tauroursodeoxycholic acid

MNXM162420 is deprecated and here replaced by MNXM730341
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM730341Image of MNXM730341
#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 10
formulaC26H45NO6S
charge0
mass499.29676
referencechebi:80774
InChIKeyBHTRKEVKTKCXOH-LBSADWJPSA-N
InChIInChI=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
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:80774
chebi:80774 		tauroursodeoxycholic acid
2-(((3-alpha,5-beta,7-beta)-3,7-Dihydroxy-24-oxocholan-24-yl) amino)ethanesulfonic acid
2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-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
TUDCA
Taurolite
UR 906
Ursodeoxycholyltaurine
bigg.metabolite:HC02195
biggM:HC02195 		Tauroursodeoxycholate
kegg.compound:C16868
keggC:C16868 		Tauroursodeoxycholic acid
lipidmaps:LMST05040015
lipidmapsM:LMST05040015 		Tauroursodeoxycholic acid
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)-taurine
O4
ST 24:1
T
Tauroursodeoxycholate
seed.compound:cpd17168
seedM:cpd17168 		Tauroursodeoxycholic acid
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine
tauroursodeoxycholate
kegg.drug:D11836
keggD:D11836 		Taurursodiol (USAN)
Tauroursodeoxycholic acid
CHEBI:132028
chebi:132028 		tauroursodeoxycholate
2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-)
N-ursodeoxycholoyltaurine(1-)
metacyc.compound:CPD-18799
metacycM:CPD-18799 		tauroursodeoxycholate
N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine
chebi:132326
biggM:M_HC02195
keggC:M_C16868
keggD:M_D11836
seedM:M_cpd17168 		secondary/obsolete/fantasy identifier