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taurolithocholate sulfate

Properties
MNX_IDMNXM1950
formulaC26H43NO8S2
charge-2
mass561.75356
referencechebi:58301
Image of MNXM1950
InChIKeyHSNPMXROZIQAQD-GBURMNQMSA-L
InChIInChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
SMILESC[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref8
Distinct compatimentalized reactions in models9

Similar chemical compounds in external resources
IdentifierDescription
chebi:17864
reactome:R-ALL-176483
reactome:R-ALL-433120
taurolithocholic acid sulfate
(3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
2-[(24-oxo-3alpha-sulfooxy-5beta-cholan-24-yl)amino]ethanesulfonic acid
3alpha-Sulfatolithocholyltaurine
Slct-3-sulfate
TLC-S
Taurolithocholate 3-sulfate
Taurolithocholate sulfate
Taurolithocholic acid 3-sulfate
metacycM:TAUROLITHOCHOLATE-SULFATE taurolithocholate sulfate
3alpha-sulfatolithocholyltaurine
taurolithocholic acid 3-sulfate
hmdb:HMDB0002580 Taurolithocholic acid 3-sulfate
(3a-Sulfato-5b-cholan-24-oyl)-2'-aminoethanesulfonate
(3a-Sulfato-5b-cholan-24-oyl)-2'-aminoethanesulfonic acid
(3a-Sulphato-5b-cholan-24-oyl)-2'-aminoethanesulphonate
(3a-Sulphato-5b-cholan-24-oyl)-2'-aminoethanesulphonic acid
(3alpha-Sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
(3alpha-Sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonic acid
(3alpha-Sulphato-5beta-cholan-24-oyl)-2'-aminoethanesulphonate
(3alpha-Sulphato-5beta-cholan-24-oyl)-2'-aminoethanesulphonic acid
(3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
(3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonic acid
(3alpha-sulphato-5beta-cholan-24-oyl)-2'-aminoethanesulphonate
(3alpha-sulphato-5beta-cholan-24-oyl)-2'-aminoethanesulphonic acid
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
3a-Sulfatolithocholyltaurine
3a-Sulphatolithocholyltaurine
3alpha-Sulfatolithocholyltaurine
3alpha-Sulphatolithocholyltaurine
3alpha-sulfatolithocholyltaurine
3alpha-sulphatolithocholyltaurine
SLCT-3-Sulfate
SLCT-3-Sulfuric acid
SLCT-3-Sulphate
SLCT-3-Sulphuric acid
TLC-S
Taurolithocholate 3-sulfate
Taurolithocholate 3-sulphate
Taurolithocholate sulfate
Taurolithocholate sulphate
Taurolithocholic acid 3-sulfuric acid
Taurolithocholic acid 3-sulphate
Taurolithocholic acid 3-sulphuric acid
Taurolithocholic acid sulfate
Taurolithocholic acid sulfuric acid
Taurolithocholic acid sulphate
Taurolithocholic acid sulphuric acid
tlc-S
biggM:M_HC02198
chebi:15200
chebi:1716
chebi:26858
chebi:9412
hmdb:HMDB02580
keggC:M_C03642
seedM:M_cpd02286
secondary/obsolete/fantasy identifier
seedM:cpd02286 Taurolithocholate sulfate
3alpha-Sulfatolithocholyltaurine
3alpha-sulfatolithocholyltaurine
Taurolithocholic acid 3-sulfate
taurolithocholate sulfate
taurolithocholic acid 3-sulfate
keggC:C03642 Taurolithocholate sulfate
3alpha-Sulfatolithocholyltaurine
Taurolithocholic acid 3-sulfate
chebi:58301 taurolithocholate sulfate
2-[(24-oxo-3alpha-sulfonatooxy-5beta-cholan-24-yl)amino]ethanesulfonate
taurolithocholic acid sulfate dianion
taurolithocholic acid sulfate(2-)
biggM:HC02198 2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfonatooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonate
lipidmaps:LMST05020003 Taurolithocholate sulfate
N-(3alpha-hydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate
MNXM162796is deprecated and replaced by this entry
MNXM683422is deprecated and replaced by this entry
MNXM90373is deprecated and replaced by this entry