EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186197 - CAY10591

ChEBI IDCHEBI:186197
ChEBI NameCAY10591
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25N5O2
Net Charge0
Average Mass367.453
Monoisotopic Mass367.20083
SMILESCOCCCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21
InChIInChI=1S/C20H25N5O2/c1-27-12-6-11-25-18(21)16(20(26)22-13-7-2-3-8-13)17-19(25)24-15-10-5-4-9-14(15)23-17/h4-5,9-10,13H,2-3,6-8,11-12,21H2,1H3,(H,22,26)
InChIKeyVNOFYGGJZCEPAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
CAY10591 (CHEBI:186197) is a quinoxaline derivative (CHEBI:38771)
IUPAC Name 
2-amino-N-cyclopentyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Manual XrefsDatabases
1453459ChemSpider