Synonym: N-(3α,7β-Dihydroxy-5β-cholan-24-oyl)glycine; N-[(3α,5β,7β)-3,7-Dihydroxy-24-oxocholan-24-yl]glycine; GUDCA; Glycylursodeoxycholic acid; Ursodeoxycholylglycine
CAS Number: 64480-66-6
Empirical Formula (Hill Notation): C26H43NO5
Molecular Weight: 449.62
MDL Number: MFCD00137427
Linear Formula: C26H43NO5
Product Type: Chemical
| assay |
≥96.0% (TLC) |
| biological source |
synthetic |
| form |
powder |
| functional group |
carboxylic acid |
| InChI |
1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1 |
| InChI key |
GHCZAUBVMUEKKP-XROMFQGDSA-N |
| Quality Level |
100  |
| SMILES string |
[H][C@@]12[C@]([C@](CC[C@@H](O)C3)(C)[C@]3([H])C[C@@H]2O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(NCC(O)=O)=O |
| Biochem/physiol Actions: |
Secondary bile acid derived from acyl glycine. Glycoursodeoxycholic Acid (GUDCA) is reported to have cytoprotective and anti-inflammatory effects. |
| Other Notes: |
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 06863.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin. |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥96.0% (TLC) |
| UNSPSC |
12161900 |
