EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189474 - 2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

ChEBI IDCHEBI:189474
ChEBI Name2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N6O5
Net Charge0
Average Mass550.660
Monoisotopic Mass550.29037
SMILESCOc1ccccc1N1CCN(C(=O)C[C@@H]2O[C@H](Cn3cc(CN(C)Cc4ccccc4)nn3)[C@@H](O)[C@H]2O)CC1
InChIInChI=1S/C29H38N6O5/c1-32(17-21-8-4-3-5-9-21)18-22-19-35(31-30-22)20-26-29(38)28(37)25(40-26)16-27(36)34-14-12-33(13-15-34)23-10-6-7-11-24(23)39-2/h3-11,19,25-26,28-29,37-38H,12-18,20H2,1-2H3/t25-,26+,28-,29+/m0/s1
InChIKeyFIWPWRQNNFZGAU-IXGYBEARSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
2-{(2s,3r,4s,5r)-5-[(4-{[benzyl(methyl)amino]methyl}-1h-1,2,3-triazol-1-yl)methyl]-3,4-dihydroxytetrahydro-2-furanyl}-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone (CHEBI:189474) is a piperazines (CHEBI:26144)
IUPAC Name 
2-[(2S,3R,4S,5R)-5-[[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]methyl]-3,4-dihydroxyoxolan-2-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Manual XrefsDatabases
21387437ChemSpider