EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:117984 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea

ChEBI IDCHEBI:117984
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
Stars
DownloadsMolfile
FormulaC21H30N6O5
Net Charge0
Average Mass446.508
Monoisotopic Mass446.22777
SMILESCN(C)Cc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1
InChIInChI=1S/C21H30N6O5/c1-26(2)10-15-11-27(25-24-15)8-7-16-4-5-17(20(12-28)32-16)23-21(29)22-14-3-6-18-19(9-14)31-13-30-18/h3,6,9,11,16-17,20,28H,4-5,7-8,10,12-13H2,1-2H3,(H2,22,23,29)/t16-,17-,20+/m0/s1
InChIKeyJOZKTRAUEBYZEE-ABSDTBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2S,3S,6S)-6-[2-[4-[(dimethylamino)methyl]-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea (CHEBI:117984) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-29433LINCS