EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:118993 - 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea

ChEBI IDCHEBI:118993
ChEBI Name1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea
Stars
DownloadsMolfile
FormulaC23H28N6O4
Net Charge0
Average Mass452.515
Monoisotopic Mass452.21720
SMILESCOc1ccccc1NC(=O)N[C@@H]1CC[C@@H](CCn2cc(-c3cccnc3)nn2)O[C@H]1CO
InChIInChI=1S/C23H28N6O4/c1-32-21-7-3-2-6-18(21)25-23(31)26-19-9-8-17(33-22(19)15-30)10-12-29-14-20(27-28-29)16-5-4-11-24-13-16/h2-7,11,13-14,17,19,22,30H,8-10,12,15H2,1H3,(H2,25,26,31)/t17-,19+,22-/m0/s1
InChIKeyIYNBDOOKZCJAQL-KPLVRAHFSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea (CHEBI:118993) is a C-glycosyl compound (CHEBI:20857)
Manual XrefsDatabases
LSM-30442LINCS