(3α,5Beta)-24-[(Carboxymethyl)Amino]-24-Oxocholan-3-Yl Sulfate

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Properties Simple | Detailed

Formula C26H43NO7S
IUPAC Name 2-[[(4r)-4-[(3r,5r,8r,9s,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]acetic acid
Molecular Mass 513.687 g·mol−1
Heat of Formation -1303.2 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 620.02 Å 3
Surface Area 494.08 Å 2
Point Group Symmetry C1
Synonyms
  • [(3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-4-(carboxymethylamino)-1-methyl-4-oxo-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] sulfate
  • [(3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-4-(carboxymethylamino)-1-methyl-4-oxobutyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] sulfate
  • [(3r,5r,8r,9s,10s,13r,14s,17r)-17-[(1r)-4-(carboxymethylamino)-4-keto-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] sulfate
  • [(3r,5r,8r,9s,10s,13r,14s,17r)-17-[(2r)-5-(carboxymethylamino)-5-oxo-pentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] sulfate
  • glycolithocholate 3-sulfate
  • lmst05030004
  • n-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine 3-sulfate
  • sulfoglycolithocholate
  • sulfolithocholylglycine
CAS Number(s)
  • 15324-64-8
InChIKey FHXBAFXQVZOILS-OETIFKLTSA-M
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