Chenodeoxycholic acid 3-glucuronide
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Grundinformationen
- CAS
58814-71-4- Standard-SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
GDNGOAUIUTXUES-BWGRGVIUSA-N- Summenformel
- C30H48O10
- Durchschnittliche Molmasse
- 568,704 g/mol
- Monoisotopische Masse
- 568,32474774
Namen und Bezeichner
- Bevorzugter Name
- Chenodeoxycholic acid 3-glucuronide
- IUPAC
- 7alpha,24-Dihydroxy-24-oxo-5beta-cholan-3alpha-yl beta-D-glucopyranosiduronic acid
- Englischer Name
- (3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl b-D-glucopyranosiduronic acid
- Summenformel
- C30H48O10
- Molmasse
- 568.7
Namen und Synonyme
Chenodeoxycholic Acid 3-GlucuronideChenodeoxycholic Acid-3-β-D-glucuronideChenodeoxycholic acid-3-2-D-glucuronideChenodeoxycholic acid-3-beta-D-glucuronide(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-D-Glucopyranosiduronic acid(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl b-D-glucopyranosiduronic acidβ-D-Glucopyranosiduronic acid, (3α,5β,7α)-23-carboxy-7-hydroxy-24-norcholan-3-yl
Datenbank-Bezeichner
- CAS
58814-71-4- PubChem CID
- 20849182
- DTXSID
DTXSID201293680- ChEBI
CHEBI:137725- Nikkaji
- J633.647G
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 °C · >166°C (dec.)
- Siedepunkt
- 760.3 · 760.3±60.0 °C(Predicted)
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 2.82 · 2.82±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenChenodeoxycholic acid-3-β-D-glucuronide is a derivative of chenodeoxycholic acid (C291900). Chenodeoxycholic acid is a major bile acid in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate. With other bile acids, forms mixed micelles with lecithin in bile which solubilize cholesterol and thus facilitates its excretion. Fcilitates fat absorption in the small intestine by micellar solubilization of fatty acids and monoglycerides. Anticholelithogenic. Epimeric with Ursodiol.
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