3-indole carboxylic acid glucuronide (CHEBI:68486)

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ChEBI Name	3-indole carboxylic acid glucuronide

ChEBI ID	CHEBI:68486

Definition	An O-acyl carbohydrate obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the anomeric hydroxy group of β-D-glucuronic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H15NO8

Net Charge

Average Mass

337.282

Monoisotopic Mass

337.07977

InChI

InChI=1S/C15H15NO8/c17-9-10(18)12(13(20)21)23-15(11(9)19)24-14(22)7-5-16-8-4-2-1-3-6(7)8/h1-5,9-12,15-19H,(H,20,21)/t9-,10-,11+,12-,15-/m0/s1

InChIKey

BDNWJTRKUBXAGH-HJHSNUOESA-N

SMILES

C1=CC=C2C(=C1)C(=CN2)C(O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(O)=O)O)O)O)=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	3-indole carboxylic acid glucuronide (CHEBI:68486) has functional parent β-D-glucuronic acid (CHEBI:28860) 3-indole carboxylic acid glucuronide (CHEBI:68486) has functional parent indole-3-carboxylic acid (CHEBI:24809) 3-indole carboxylic acid glucuronide (CHEBI:68486) has role metabolite (CHEBI:25212) 3-indole carboxylic acid glucuronide (CHEBI:68486) is a O-acyl carbohydrate (CHEBI:52782) 3-indole carboxylic acid glucuronide (CHEBI:68486) is a glucosiduronic acid (CHEBI:24302) 3-indole carboxylic acid glucuronide (CHEBI:68486) is a indolyl carbohydrate (CHEBI:24821)

IUPAC Name

1-O-(1H-indol-3-ylcarbonyl)-β-D-glucopyranuronic acid

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

18 April 2018