Taurochenodeoxycholate-3-sulfate

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 07:12, 13 February 2009 (edit) Raghavagps (Talk | contribs) m (1 revision) ← Previous diff		Current revision (04:08, 11 December 2009) (edit) (undo) Gaurav (Talk | contribs)
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	==Description==		==Description==
		+	[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1151&show=SHOW-3D Show 3-D Structure]
	==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

[edit] General Properties

*Molecular Weight

579.77

*Molecular Formula

C₂₆H₄₅NO₉S₂

*IUPAC NAME

2-[[(4R)-4-[(3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-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)OS(=O)(=O)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)OS(=O)(=O)O)C)O)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

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