EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:188590 - 5'-O-{[2-(1H-Indol-3-yl)ethyl]carbamoyl}guanosine

Default Structure
ChEBI IDCHEBI:188590
ChEBI Name5'-O-{[2-(1H-Indol-3-yl)ethyl]carbamoyl}guanosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N7O6
Net Charge0
Average Mass469.458
Monoisotopic Mass469.17098
SMILESNc1nc(=O)c2ncn([C@@H]3O[C@H](COC(=O)NCCc4cnc5ccccc45)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1
InChIKeyWKHCFGWBMMFLHU-NVQRDWNXSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
5'-O-{[2-(1H-Indol-3-yl)ethyl]carbamoyl}guanosine (CHEBI:188590) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
Manual XrefsDatabases
28488600ChemSpider
HHJPDBeChem