3-Indolyl-β-D-glucuronide , CAS No.35804-66-1

CAS: 35804-66-1 Cat. No.: I1439360 Molecular Weight: 408.45 PubChem CID: 2733785

Storage

Store at -20°C

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Overview

3-Indolyl-β-D-glucuronide, a chromogenic substrate for β-D-glucuronidase, employs in the detection and enumeration of E. coli , yielding a blue precipitate upon cleavage. 3-Indolyl-β-D-glucuronide in? patients' plasma act as a new indicator of renal failure.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid
• InChIKey: KUYNOZVWCFXSNE-BYNIDDHOSA-N
• INCHI: 1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
• PubChem CID: 2733785
• Molecular Weight: 408.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives
            • Level7 Glucuronides
              • Level8 O-glucuronides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
• Direct Parent: O-glucuronides
• Alternative Parents: O-glycosyl compounds Indoles Beta hydroxy acids and derivatives Substituted pyrroles Pyrans Benzenoids Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Acetals Azacyclic compounds Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Beta-hydroxy acid - Hydroxy acid - Monosaccharide - Benzenoid - Substituted pyrrole - Pyran - Oxane - Heteroaromatic compound - Pyrrole - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Specific Rotation[α]: [α]20/D ：-80.0±5.0（c=0.5 in H20）