Tauroursocholic acid
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Tauroursocholic acid
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CAS No:
86386-60-9
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Formula:
C26H45NO7S
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Chemical Name:
Tauroursocholic acid
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Synonyms:
Ethanesulfonic acid,2-[[(3α,5β,7β,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-;2-[[(3α,5β,7β,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid;Ursocholyltaurine;Tauroursocholic acid;7-epi-Taurocholic acid
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CAS No:
Description
Tauroursocholic acid is a bile acid taurine conjugate of ursocholic acid. It has a role as a human metabolite and a rat metabolite. It derives from an ursocholic acid. It is a conjugate acid of a tauroursocholate.
Tauroursocholic acid Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Taurine conjugates [ST0504]
Computed Properties
Molecular Weight:515.7
XLogP3:2.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:515.29167395
Monoisotopic Mass:515.29167395
Topological Polar Surface Area:153
Heavy Atom Count:35
Complexity:891
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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