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CHEBI:68486 - 3-indole carboxylic acid glucuronide

ChEBI IDCHEBI:68486
ChEBI Name3-indole carboxylic acid glucuronide
Stars
DefinitionAn 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.
Last Modified18 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC15H15NO8
Net Charge0
Average Mass337.284
Monoisotopic Mass337.07977
SMILESO=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cnc2ccccc12
InChIInChI=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
InChIKeyBDNWJTRKUBXAGH-HJHSNUOESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-indole carboxylic acid glucuronide (CHEBI:68486) has functional parent indole-3-carboxylic acid (CHEBI:24809)
3-indole carboxylic acid glucuronide (CHEBI:68486) has functional parent β-D-glucuronic acid (CHEBI:28860)
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
Manual XrefsDatabases
HMDB0013189HMDB
Citations