Taurolithocholic acid 3-sulfate

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	==Description==		==Description==
		+	[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1152&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

563.77

*Molecular Formula

C₂₆H₄₅NO₈S₂

*IUPAC NAME

2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S,17R)-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(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C

*Isomeric Smiles

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]KEGG Compound
• [3]Human Metabolome DataBase