Tauroursodeoxycholic acid

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Revision as of 07:12, 13 February 2009 (edit) Raghavagps (Talk | contribs) m (1 revision) ← Previous diff		Current revision (04:41, 11 December 2009) (edit) (undo) Gaurav (Talk | contribs)
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	==Description==		==Description==
		+	[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1234&show=SHOW-3D Show 3-D Structure]
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	RN given refers to (3alpha,5beta,7beta)-isomer		RN given refers to (3alpha,5beta,7beta)-isomer
	==General Properties==		==General Properties==
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Current revision

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[edit] Description

Show 3-D Structure

RN given refers to (3alpha,5beta,7beta)-isomer

[edit] General Properties

*Molecular Weight

499.7

*Molecular Formula

C₂₆H₄₅NO₆S

*IUPAC NAME

2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-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

*Canonical Smiles

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

*Isomeric Smiles

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]Human Metabolome DataBase