Compound Summary
Compound Information
sodium taurocholate
Compound Name: | sodium taurocholate |
Compound CID: | 23666345 |
Synonyms: | sodium taurocholate Taurocholate sodium Monosodium taurocholate Taurocholate sodium salt 145-42-6 More... |
Iupac Name: | sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]ethanesulfonate |
InChI: | InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1 |
InChIKey: | JAJWGJBVLPIOOH-IZYKLYLVSA-M |
Canonical Smiles: | CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+] |
Isomeric Smiles: | C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+] |
Molecular Weight: | 537.7 |
Molecular Formula: | C26H44NNaO7S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
sodium taurocholate
Molecular Weight: | 537.7 |
Molecular Formula: | C26H44NNaO7S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 36 |
Complexity: | 897 |
Synonyms
sodium taurocholate
| sodium taurocholate | sodium taurocholate |
|---|---|
sodium taurocholate |
Taurocholate sodium |
Monosodium taurocholate |
Taurocholate sodium salt |
145-42-6 |
UNII-M6N3TH81NO |
Monosodium N-choloyltaurinate |
Taurocholic acid sodium salt |
M6N3TH81NO |
145-42-6 (Sodium) |
CHEBI:36276 |
Sodium taurocholate hydrate |
Sodium N-choloyltaurinate |
sodium 2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopentaaphenanthren-17-yl)pentanamido)ethane-1-sulfonate |
Monosodium taurocholic acid |
na-taurocholate |
CCRIS 5580 |
EINECS 205-653-7 |
Taurine, N-choloyl-, monosodium salt |
Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1) |
SCHEMBL4254 |
CHEMBL443728 |
Taurine, N-choloyl-, sodium salt |
AKOS016036224 |
Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt |
Monosodium 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonate |
T0808 |
Q25474127 |
sodium 2-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)aminoethanesulfonate |
sodium;2-(4R)-4-(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-17-ylpentanoylaminoethanesulfonate |
Sodium;2-(4R)-4-(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-17-ylpentanoylaminoethanesulfonate |
Taurocholic acid sodium salt, 500 mug/mL in methanol (as free sulfate), certified reference material |
Experimental Data
sodium taurocholate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
sodium taurocholate
Statistics Data
sodium taurocholate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
sodium taurocholate
