Glycoursodeoxycholic acid 3-sulfate
CAS Registry Number®
133429-88-6
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CAS Name
Glycoursodeoxycholic acid 3-sulfateMolecular Formula
C26H43NO8SMolecular Mass
529.69Cite this Page
Glycoursodeoxycholic acid 3-sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=133429-88-6 (retrieved ) (CAS RN: 133429-88-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1
InChIKey
InChIKey=DKXXSIJHWWVNMO-XROMFQGDSA-N
SMILES
O[C@@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@H](OS(=O)(=O)O)CC3)[H])(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCC(NCC(O)=O)=O)C)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CNC(=O)CCC(C)C1CCC2C3C(O)CC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
Other Names for this Substance
- Glycine, N-[(3α,5β,7β)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-
- Cholane, glycine deriv.
- N-[(3α,5β,7β)-7-Hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]glycine
- Glycoursodeoxycholic acid 3-sulfate
