EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192680 - UR-144 N-(2-hydroxypentyl) metabolite

ChEBI IDCHEBI:192680
ChEBI NameUR-144 N-(2-hydroxypentyl) metabolite
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO2
Net Charge0
Average Mass327.468
Monoisotopic Mass327.21983
SMILESCCCC(O)Cn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21
InChIInChI=1S/C21H29NO2/c1-6-9-14(23)12-22-13-16(15-10-7-8-11-17(15)22)18(24)19-20(2,3)21(19,4)5/h7-8,10-11,13-14,19,23H,6,9,12H2,1-5H3
InChIKeyZEPXGQZTNGWWTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
UR-144 N-(2-hydroxypentyl) metabolite (CHEBI:192680) is a indoles (CHEBI:24828)
IUPAC Name 
[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
Manual XrefsDatabases
29341394ChemSpider