Glycolithocholic acid 3-sulfate
CAS Registry Number®
15324-64-8
No image available.
CAS Name
Glycolithocholic acid 3-sulfateMolecular Formula
C26H43NO7SMolecular Mass
513.69Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
118208-81-4
