Glycolithocholic acid 3-sulfate

CAS Registry Number®

15324-64-8

CAS Name

Glycolithocholic acid 3-sulfate

Molecular Formula

C26H43NO7S

Molecular Mass

513.69

Cite this Page

Glycolithocholic acid 3-sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15324-64-8 (retrieved 2024-11-27) (CAS RN: 15324-64-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=FHXBAFXQVZOILS-OETIFKLTSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](OS(=O)(=O)O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(NCC(O)=O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CNC(=O)CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Glycine, N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-
  • Glycine, N-(3α-hydroxy-5β-cholan-24-oyl)-, hydrogen sulfate (ester)
  • Cholane, glycine deriv.
  • N-[(3α,5β)-24-Oxo-3-(sulfooxy)cholan-24-yl]glycine
  • 3α-Hydroxy-5β-cholanoylglycine 3-sulfate

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Deleted or Replaced CAS Registry Numbers

118208-81-4

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