beta-Tauromuricholic Acid

cas: 25696-60-0 — see every product listed under this CAS number, including other names

beta-Tauromuricholic Acid (CAS 25696-60-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC5777
cas25696-60-0
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

Tauro-beta-muricholic acid is a bile acid taurine conjugate derived from beta-muricholic acid. It has a role as a human metabolite and a rat metabolite. It is a bile acid taurine conjugate, a monocarboxylic acid amide, a 7beta-hydroxy steroid, a 3alpha-hydroxy steroid and a 6beta-hydroxy steroid. It is functionally related to a beta-muricholic acid. It is a conjugate acid of a tauro-beta-muricholate.

Source: ChEBI

Identity
Molecular formulaC26H45NO7S
Molecular weight515.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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
InChIKeyXSOLDPYUICCHJX-UZUDEGBHSA-N
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: tauro-beta-muricholic acid, beta-tauromuricholic acid, Tauro-b-muricholate, T-beta-MCA, tauro-b-muricholic acid, N-(3alpha,6beta,7beta-trihydroxy-5beta-cholan-24-oyl)-taurine, tauromuricholate, T-beta-MC, N-(3a,6b,7b-trihydroxy-5b-cholan-24-oyl)-Taurine, T-betaMCA (sodium)
Related forms of this compound
2-[[(4R)-4-[(3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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 C26H45NO7S
2-[[(4R)-4-[(3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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 C26H45NO7S
2-[[(4R)-4-[(3R,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-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 C26H45NO7S
Isomers (same molecular formula)
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]ethanesulfonic acid C26H45NO7S
2-[[(4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid C26H45NO7S

Also listed as

Tauro-b-muricholic acid Chemat Brand CAS 25696-60-0
Tauro-beta-muricholic Acid Sodium Salt, >95% (HPLC) TRC CAS 25696-60-0
Tauro–β–muricholic acid–d4–1 sodium GLPBio CAS 25696-60-0
Tauro-β-muricholic acid, 99.91% MedChemExpress CAS 25696-60-0