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Substance Name: Sulfolithocholylglycine
RN: 15324-64-8
InChIKey: FHXBAFXQVZOILS-OETIFKLTSA-N

Molecular Formula

  • C26-H43-N-O7-S

Molecular Weight

  • 513.692
 
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Names and Synonyms

Name of Substance

  • Sulfolithocholylglycine

Synonyms

  • Glycolithocholic acid sulfate
  • Sulfoglycolithocholic acid
  • Sulfolithoglycocholine

Systematic Name

  • Glycine, N-((3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl)-

Registry Numbers

CAS Registry Number

  • 15324-64-8

System Generated Number

  • 0015324648

Structure Descriptors

InChI

1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1

InChIKey

FHXBAFXQVZOILS-OETIFKLTSA-N

Smiles

C(=O)(CC[C@H]([C@@H]1[C@@]2([C@H]([C@@H]3CC[C@H]4[C@@]([C@H]3CC2)(CC[C@H](OS(=O)(=O)O)C4)C)CC1)C)C)NCC(=O)O