Taurocholic Acid
Taurocholic_acid synonyms
Taurocholic Acid; Taurocholate Sodium; Cholic acid taurine conjugate; N-choloyltaurine; Cholyltaurine; Cholaic acid; 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine; TAUROCHOLATE; N-Choloyltaurine; Taurocholate; Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
Graphical representations:
View large 3D structure
Molecular Formula: C26H45NO7S
Natural Isotopic Abundance Mass: 515.703
Mono-Isotopic Molecular Masses:
- C12N14: 515.2916734944
- C13N14: 541.3788992772
- C12N15: 516.2887083876
- C13N15: 542.3759341704
InChI string: InChI=1S/C26H45NO7S/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)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
PubChem Compound (CID): 6675CAS Registry number: 345909-26-4
MMCD: cq_02867
MDL number: MFCD00150819
CAS Registry number: 81-24-3
Sigma-Aldrich: T4009_SIGMA
ChEBI: CHEBI:28865
LeadScope: LS-177599
HSDB: 832
ChEMBL: CHEMBL224867
ChemSpider: 6423
BIND: 582
EINECS: 201-336-2
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)