EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119136 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]urea

ChEBI IDCHEBI:119136
ChEBI Name1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]urea
Stars
DownloadsMolfile
FormulaC18H28N6O5
Net Charge0
Average Mass408.459
Monoisotopic Mass408.21212
SMILESCOCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3c(C)noc3C)[C@@H](CO)O2)nn1
InChIInChI=1S/C18H28N6O5/c1-11-17(12(2)29-22-11)20-18(26)19-15-5-4-14(28-16(15)9-25)6-7-24-8-13(10-27-3)21-23-24/h8,14-16,25H,4-7,9-10H2,1-3H3,(H2,19,20,26)/t14-,15-,16+/m0/s1
InChIKeyCAIOSQFPDHZSIB-HRCADAONSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]urea (CHEBI:119136) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-30585LINCS