Taurocholic acid
Compound with spectra: 1 MS (GC)
| SpectraBase Compound ID | 2vOhDSwzfTL |
|---|---|
| InChI | 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 |
| InChIKey | WBWWGRHZICKQGZ-FBJWDKEHSA-N |
| Mol Weight | 515.7 g/mol |
| Molecular Formula | C26H45NO7S |
| Exact Mass | 515.291674 g/mol |
| Enantiomer InChIKey | WBWWGRHZICKQGZ-QLEPVAKDSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | BS-5-89-0 |
- 2-[[(4R)-1-oxo-4-[(3R,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]pentyl]amino]ethanesulfonic acid
- 2-[[(4R)-4-[(3R,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]ethanesulfonic acid
- 2-[[(4R)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
- 2-{[(3alpha,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
N-(2-THIOETHYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-AMIDE
#2;N-(3-AMINOPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OYL-DITIHIOCARBAMATE-OF-N-(3-AMMONIUMPROPYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDRO
Glycocholic acid-(glycyl-1-13C) monohydrate
Glycocholic acid, sodium salt
Sodium glycocholate hydrate
Glycocholic acid dihydrate
Methyl glycocholate
Methyl glycoallocholate
Cholic acid N-benzylamide
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
KnowItAll LC-MS Library
Author: Wiley
Wiley's KnowItAll LC-MS Library offers access to an impressive collection of high-quality mass spectra designed to accelerate spectral identification. Learn more.
KnowItAll GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.